90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.743734391460
  N      -3.305056     -3.612263      2.253863
  C      -2.886477     -4.555800      1.229242
  C      -2.604955     -5.975486      1.795654
  N      -3.628922     -6.355175      2.776676
  C      -4.875708     -6.797346      2.131206
  C      -6.089324     -6.511155      3.031493
  N      -5.969033     -5.169224      3.585895
  Mo     -4.097655     -4.549419      3.874003
  N      -3.151985     -5.488029      5.442202
  C      -2.398746     -6.611457      4.947057
  C      -3.139181     -7.314394      3.777023
  H      -2.213179     -7.377303      5.726110
  H      -1.385054     -6.306837      4.587612
  H      -4.009835     -7.821085      4.204147
  H      -2.481572     -8.071523      3.332317
  H      -6.997944     -6.627042      2.425199
  H      -6.140298     -7.268459      3.839569
  H      -4.994403     -6.195029      1.229656
  H      -4.839295     -7.858565      1.859320
  H      -1.997757     -4.217809      0.687656
  H      -3.699561     -4.623421      0.493700
  H      -1.639521     -5.963543      2.315861
  H      -2.544029     -6.702106      0.975484
  C      -0.343870     -3.593797      3.824009
  N      -1.715624     -3.140572      3.980322
  C      -2.398050     -2.609472      2.734634
  C      -1.449042     -1.940199      1.721283
  C      -2.177426     -1.293878      0.564679
  C      -3.305584     -0.504661      0.762756
  C      -3.918819      0.129332     -0.306128
  C      -3.408390     -0.009367     -1.586601
  C      -2.287484     -0.794614     -1.795008
  C      -1.679999     -1.433126     -0.726573
  C      -6.642606     -6.196126      6.672361
  N      -6.233078     -5.009270      5.942800
  C      -6.892562     -4.771485      4.618737
  C      -8.324570     -5.309799      4.466801
  C      -9.371824     -4.665775      5.351387
  C     -10.679609     -5.138649      5.251823
  C     -11.695102     -4.592738      6.014921
  C     -11.419797     -3.559868      6.897448
  C     -10.125280     -3.084475      7.007912
  C      -9.105913     -3.631807      6.239520
  C      -3.904956     -4.589882      8.497890
  N      -3.631715     -3.965804      7.217760
  C      -2.562072     -4.542832      6.388848
  C      -1.337158     -5.015356      7.178364
  C      -0.665953     -3.916757      7.974318
  C      -0.009224     -4.245240      9.158014
  C       0.670590     -3.288750      9.892061
  C       0.702818     -1.975405      9.453259
  C       0.048958     -1.632498      8.282069
  C      -0.627979     -2.593971      7.544309
  H      -0.195774     -4.298194      2.991457
  H      -0.035117     -4.089822      4.748755
  H       0.325493     -2.744326      3.674473
  H      -2.325291     -3.975480      3.981945
  H      -3.022451     -1.794535      3.123533
  H      -0.710472     -2.649818      1.339577
  H      -0.900344     -1.171168      2.280358
  H      -3.707727     -0.382456      1.768181
  H      -4.789227      0.740259     -0.124622
  H      -3.880846      0.498412     -2.411500
  H      -1.876576     -0.906432     -2.785305
  H      -0.798232     -2.035316     -0.888799
  H      -6.029345     -6.266128      7.573835
  H      -7.683932     -6.114661      6.986865
  H      -6.521193     -7.134006      6.108695
  H      -5.298058     -5.178757      5.548977
  H      -6.965780     -3.671519      4.539253
  H      -8.601596     -5.133241      3.421717
  H      -8.336050     -6.391691      4.628148
  H     -10.890395     -5.941356      4.561807
  H     -12.699455     -4.972435      5.918727
  H     -12.204805     -3.127033      7.495551
  H      -9.887616     -2.282071      7.689937
  H      -8.090075     -3.249104      6.349053
  H      -3.135950     -4.336486      9.231810
  H      -3.974210     -5.690078      8.446324
  H      -4.859095     -4.204185      8.864044
  H      -4.405375     -4.223821      6.630716
  H      -2.254018     -3.706345      5.794827
  H      -0.601233     -5.418894      6.466556
  H      -1.592267     -5.842928      7.854012
  H      -0.032213     -5.271073      9.495872
  H       1.176794     -3.573478     10.800381
  H       1.233351     -1.223398     10.014013
  H       0.061489     -0.615139      7.922150
  H      -1.133329     -2.298784      6.621575
  N      -4.802249     -3.079205      5.244739
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.794151798616
  N      -3.329528     -3.580771      2.198743
  C      -2.868862     -4.544750      1.199306
  C      -2.550160     -5.938539      1.802117
  N      -3.581799     -6.325825      2.785261
  C      -4.817047     -6.817321      2.135491
  C      -6.044555     -6.541296      3.020279
  N      -5.967826     -5.177934      3.545182
  Mo     -4.117320     -4.496636      3.834254
  N      -3.168645     -5.389245      5.446042
  C      -2.380282     -6.513485      4.976350
  C      -3.081799     -7.250346      3.815923
  H      -2.201345     -7.268816      5.766693
  H      -1.365872     -6.195966      4.639747
  H      -3.951284     -7.767538      4.239736
  H      -2.400522     -8.004355      3.395031
  H      -6.946665     -6.696747      2.408671
  H      -6.082200     -7.280749      3.845259
  H      -4.942052     -6.240163      1.213980
  H      -4.748937     -7.886486      1.888974
  H      -1.982530     -4.192804      0.657229
  H      -3.671271     -4.658772      0.453545
  H      -1.590280     -5.886969      2.333823
  H      -2.458009     -6.686538      0.998897
  C      -0.369907     -3.419927      3.792427
  N      -1.762250     -3.004145      3.922303
  C      -2.454005     -2.532619      2.656248
  C      -1.514715     -1.870754      1.632826
  C      -2.245301     -1.282388      0.445965
  C      -3.401812     -0.514476      0.601739
  C      -4.020431      0.066933     -0.500406
  C      -3.488468     -0.103130     -1.774849
  C      -2.339232     -0.867303     -1.942118
  C      -1.726214     -1.453098     -0.839162
  C      -6.683630     -6.177813      6.660524
  N      -6.286826     -4.989041      5.912609
  C      -6.924583     -4.782845      4.571311
  C      -8.336226     -5.355227      4.429437
  C      -9.357056     -4.696450      5.330755
  C     -10.679438     -5.151299      5.277266
  C     -11.664575     -4.577087      6.069798
  C     -11.341858     -3.535459      6.936240
  C     -10.030443     -3.080452      7.002131
  C      -9.041665     -3.655053      6.204451
  C      -3.918410     -4.541115      8.573949
  N      -3.607277     -3.875127      7.318851
  C      -2.567778     -4.470790      6.448340
  C      -1.380371     -5.041977      7.227867
  C      -0.663914     -4.016708      8.080996
  C      -0.039238     -4.431829      9.261066
  C       0.681199     -3.540599     10.047924
  C       0.787081     -2.206989      9.666543
  C       0.165275     -1.778989      8.498811
  C      -0.551966     -2.674939      7.709213
  H      -0.183368     -4.146260      2.981944
  H      -0.052763     -3.876878      4.737040
  H       0.270621     -2.548555      3.623165
  H      -2.338694     -3.860424      3.944673
  H      -3.109014     -1.726024      3.017237
  H      -0.750188     -2.572907      1.279963
  H      -0.991525     -1.068489      2.173601
  H      -3.822230     -0.367428      1.597188
  H      -4.914881      0.662995     -0.351620
  H      -3.966809      0.364200     -2.628678
  H      -1.910736     -1.003787     -2.929325
  H      -0.821687     -2.040392     -0.970626
  H      -6.084701     -6.218114      7.577061
  H      -7.735758     -6.113669      6.956090
  H      -6.532048     -7.128215      6.118228
  H      -5.338205     -5.138054      5.537227
  H      -7.024839     -3.687339      4.473425
  H      -8.625699     -5.199215      3.381033
  H      -8.341919     -6.438476      4.607196
  H     -10.928248     -5.962294      4.598928
  H     -12.684444     -4.942046      6.009807
  H     -12.105270     -3.081151      7.558327
  H      -9.757512     -2.272951      7.674323
  H      -8.010302     -3.293925      6.282847
  H      -3.131059     -4.374681      9.318971
  H      -4.067611     -5.634003      8.476381
  H      -4.850286     -4.100766      8.954366
  H      -4.416858     -4.045276      6.733427
  H      -2.208144     -3.616487      5.893291
  H      -0.656268     -5.451858      6.505769
  H      -1.687810     -5.886228      7.862625
  H      -0.119775     -5.474594      9.555923
  H       1.162043     -3.891798     10.954795
  H       1.350479     -1.504348     10.270842
  H       0.235396     -0.742585      8.184042
  H      -1.029215     -2.314849      6.795201
  N      -4.831824     -3.044388      5.074284
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.837364765142
  N      -3.341900     -3.559180      2.173118
  C      -2.860995     -4.537326      1.184765
  C      -2.519763     -5.916842      1.803466
  N      -3.553871     -6.310028      2.792590
  C      -4.787344     -6.826871      2.145805
  C      -6.016816     -6.552864      3.027889
  N      -5.960635     -5.176421      3.535261
  Mo     -4.122445     -4.461731      3.818523
  N      -3.172085     -5.329387      5.444069
  C      -2.363195     -6.459940      4.990654
  C      -3.046268     -7.216043      3.840902
  H      -2.188501     -7.207962      5.787983
  H      -1.349870     -6.136546      4.665541
  H      -3.915857     -7.737090      4.264914
  H      -2.354712     -7.970442      3.431825
  H      -6.918014     -6.728070      2.417218
  H      -6.046558     -7.280912      3.862802
  H      -4.917965     -6.264424      1.212816
  H      -4.704132     -7.900307      1.913297
  H      -1.978102     -4.176742      0.639301
  H      -3.659489     -4.676599      0.436267
  H      -1.561579     -5.844819      2.338415
  H      -2.413173     -6.676234      1.009050
  C      -0.372648     -3.314303      3.768890
  N      -1.777350     -2.919663      3.887827
  C      -2.480696     -2.483868      2.612687
  C      -1.550431     -1.829713      1.580352
  C      -2.282841     -1.275540      0.378004
  C      -3.454710     -0.517920      0.510227
  C      -4.077370      0.032045     -0.610769
  C      -3.535467     -0.159001     -1.883275
  C      -2.370995     -0.912939     -2.028023
  C      -1.753942     -1.467070     -0.905062
  C      -6.702613     -6.164624      6.671065
  N      -6.311750     -4.973807      5.913474
  C      -6.937765     -4.782111      4.561625
  C      -8.337496     -5.372918      4.421716
  C      -9.353869     -4.708677      5.326584
  C     -10.682501     -5.159663      5.288207
  C     -11.661630     -4.575234      6.089073
  C     -11.326149     -3.526910      6.949961
  C     -10.007838     -3.076035      7.002167
  C      -9.024992     -3.659926      6.196597
  C      -3.927960     -4.528921      8.589440
  N      -3.593596     -3.821676      7.356929
  C      -2.562811     -4.426907      6.476081
  C      -1.402578     -5.053731      7.253430
  C      -0.662514     -4.073894      8.139917
  C      -0.063590     -4.538464      9.319661
  C       0.678519     -3.687121     10.138311
  C       0.832404     -2.344439      9.789581
  C       0.236137     -1.867750      8.621730
  C      -0.502317     -2.723715      7.801462
  H      -0.163520     -4.053658      2.972093
  H      -0.049469     -3.747253      4.724912
  H       0.249526     -2.430080      3.585149
  H      -2.329792     -3.786868      3.925294
  H      -3.152424     -1.683304      2.960699
  H      -0.772806     -2.528256      1.241901
  H      -1.038990     -1.009013      2.107633
  H      -3.884291     -0.354084      1.499677
  H      -4.984654      0.620853     -0.480616
  H      -4.017727      0.283666     -2.753722
  H      -1.934336     -1.066073     -3.014301
  H      -0.837386     -2.047282     -1.020085
  H      -6.111482     -6.188663      7.595672
  H      -7.760668     -6.109011      6.956614
  H      -6.535983     -7.122934      6.142012
  H      -5.355447     -5.113171      5.549668
  H      -7.050649     -3.689962      4.451747
  H      -8.630157     -5.229268      3.369797
  H      -8.340558     -6.457497      4.607619
  H     -10.943464     -5.976673      4.614169
  H     -12.687920     -4.937672      6.040332
  H     -12.086174     -3.065229      7.578899
  H      -9.726842     -2.263918      7.672034
  H      -7.990276     -3.304475      6.268053
  H      -3.134567     -4.417638      9.341920
  H      -4.118343     -5.614302      8.456635
  H      -4.847691     -4.067027      8.981542
  H      -4.422828     -3.932931      6.767075
  H      -2.169797     -3.563143      5.941085
  H      -0.682644     -5.469027      6.529825
  H      -1.744998     -5.903545      7.864170
  H      -0.181368     -5.588624      9.590825
  H       1.138928     -4.076135     11.045852
  H       1.413188     -1.672703     10.420299
  H       0.344140     -0.822508      8.333502
  H      -0.957845     -2.327246      6.892212
  N      -4.800039     -3.068073      4.938026
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.870289309642
  N      -3.347748     -3.539371      2.159256
  C      -2.858601     -4.530240      1.178587
  C      -2.503488     -5.902550      1.804617
  N      -3.536224     -6.299979      2.799503
  C      -4.772288     -6.828507      2.160802
  C      -5.998571     -6.550696      3.046466
  N      -5.952510     -5.165490      3.541158
  Mo     -4.121083     -4.430595      3.813625
  N      -3.167353     -5.283932      5.439417
  C      -2.348493     -6.422842      4.997046
  C      -3.023796     -7.194197      3.858284
  H      -2.177022     -7.163050      5.801257
  H      -1.336334     -6.098422      4.676349
  H      -3.893760     -7.715144      4.284340
  H      -2.329080     -7.951390      3.456215
  H      -6.901678     -6.736161      2.440095
  H      -6.022857     -7.270343      3.888349
  H      -4.908197     -6.276530      1.220669
  H      -4.683328     -7.904612      1.937457
  H      -1.979467     -4.165081      0.628526
  H      -3.656286     -4.684365      0.430961
  H      -1.545246     -5.819728      2.339268
  H      -2.391067     -6.668618      1.015548
  C      -0.362859     -3.233643      3.743167
  N      -1.775062     -2.853324      3.859328
  C      -2.492800     -2.444808      2.580465
  C      -1.571371     -1.800978      1.537395
  C      -2.306549     -1.272167      0.325815
  C      -3.485629     -0.519494      0.443169
  C      -4.112570      0.006052     -0.688967
  C      -3.568973     -0.204533     -1.959924
  C      -2.397431     -0.953582     -2.090551
  C      -1.776113     -1.482923     -0.955609
  C      -6.717945     -6.150347      6.687258
  N      -6.325951     -4.957672      5.928440
  C      -6.941883     -4.771683      4.569185
  C      -8.334593     -5.372857      4.425221
  C      -9.357994     -4.712960      5.328429
  C     -10.687170     -5.166883      5.284825
  C     -11.672799     -4.586528      6.084202
  C     -11.343466     -3.538657      6.950581
  C     -10.024430     -3.085016      7.009561
  C      -9.035202     -3.664220      6.205691
  C      -3.926955     -4.525762      8.587618
  N      -3.575333     -3.785568      7.374820
  C      -2.549796     -4.395089      6.490382
  C      -1.411848     -5.058667      7.269618
  C      -0.657618     -4.112742      8.181048
  C      -0.083615     -4.612612      9.360607
  C       0.670718     -3.793051     10.203530
  C       0.862363     -2.447040      9.879955
  C       0.291007     -1.935256      8.712017
  C      -0.459513     -2.759421      7.868240
  H      -0.141063     -3.982725      2.957048
  H      -0.033301     -3.647727      4.706387
  H       0.245894     -2.341804      3.545441
  H      -2.308837     -3.728304      3.911353
  H      -3.174065     -1.648336      2.921275
  H      -0.787646     -2.498853      1.207933
  H      -1.064197     -0.967826      2.050905
  H      -3.918254     -0.340164      1.428832
  H      -5.026097      0.591494     -0.570972
  H      -4.055096      0.218573     -2.840545
  H      -1.959274     -1.122310     -3.076000
  H      -0.854047     -2.060267     -1.060671
  H      -6.134857     -6.167628      7.618062
  H      -7.779925     -6.097798      6.963532
  H      -6.543499     -7.112863      6.165767
  H      -5.364451     -5.092896      5.575960
  H      -7.059853     -3.681790      4.452287
  H      -8.625961     -5.233468      3.370928
  H      -8.335350     -6.458485      4.612427
  H     -10.945722     -5.984212      4.606634
  H     -12.700038     -4.952047      6.030272
  H     -12.109401     -3.080628      7.578800
  H      -9.749588     -2.273600      7.685932
  H      -8.001691     -3.308955      6.286710
  H      -3.130951     -4.454739      9.343706
  H      -4.144331     -5.602998      8.426468
  H      -4.837827     -4.053235      8.990334
  H      -4.414298     -3.849364      6.784170
  H      -2.131912     -3.527471      5.969676
  H      -0.693017     -5.478930      6.548373
  H      -1.781675     -5.909736      7.862905
  H      -0.230757     -5.665644      9.614020
  H       1.111120     -4.209116     11.111575
  H       1.452856     -1.800227     10.531060
  H       0.428997     -0.885951      8.444701
  H      -0.895083     -2.336317      6.961702
  N      -4.744925     -3.104384      4.822261
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.888217083042
  N      -3.347406     -3.513588      2.155012
  C      -2.861745     -4.518255      1.180472
  C      -2.497706     -5.889431      1.806245
  N      -3.522940     -6.292603      2.808306
  C      -4.768203     -6.819945      2.186847
  C      -5.983980     -6.532428      3.085107
  N      -5.940997     -5.141165      3.569714
  Mo     -4.110969     -4.392691      3.821755
  N      -3.144311     -5.242560      5.431746
  C      -2.326462     -6.392760      4.995933
  C      -3.005566     -7.178719      3.872110
  H      -2.156563     -7.122142      5.809097
  H      -1.315986     -6.073312      4.670526
  H      -3.875322     -7.695827      4.304376
  H      -2.314505     -7.941929      3.472632
  H      -6.893175     -6.721137      2.488233
  H      -6.002550     -7.246005      3.931868
  H      -4.912004     -6.276073      1.242352
  H      -4.683029     -7.898210      1.969012
  H      -1.987713     -4.151968      0.622569
  H      -3.662355     -4.679862      0.437288
  H      -1.536859     -5.803133      2.336466
  H      -2.386913     -6.658157      1.018637
  C      -0.333741     -3.149952      3.705111
  N      -1.750659     -2.782432      3.828313
  C      -2.492794     -2.401441      2.550676
  C      -1.584278     -1.774937      1.489120
  C      -2.327266     -1.272093      0.271988
  C      -3.507694     -0.519789      0.380218
  C      -4.144130     -0.021355     -0.758655
  C      -3.610022     -0.259445     -2.028999
  C      -2.437270     -1.008269     -2.151010
  C      -1.806368     -1.509749     -1.008697
  C      -6.736128     -6.132399      6.718735
  N      -6.334450     -4.937743      5.966971
  C      -6.936806     -4.748536      4.599646
  C      -8.325302     -5.354499      4.438846
  C      -9.370568     -4.710211      5.330910
  C     -10.695328     -5.172774      5.256567
  C     -11.702183     -4.609981      6.042155
  C     -11.399345     -3.570289      6.927425
  C     -10.084936     -3.108481      7.018419
  C      -9.074975     -3.670039      6.228246
  C      -3.916319     -4.537453      8.564438
  N      -3.540738     -3.760885      7.378309
  C      -2.517021     -4.370391      6.495778
  C      -1.404178     -5.064932      7.283428
  C      -0.642933     -4.149568      8.220108
  C      -0.101641     -4.679303      9.402048
  C       0.656998     -3.890021     10.269807
  C       0.886311     -2.544494      9.969654
  C       0.347895     -2.002812      8.799266
  C      -0.407134     -2.796714      7.931256
  H      -0.106972     -3.908604      2.928920
  H       0.007032     -3.544742      4.672997
  H       0.262287     -2.253136      3.489082
  H      -2.265844     -3.666102      3.899890
  H      -3.178930     -1.607657      2.888440
  H      -0.800209     -2.475964      1.165755
  H      -1.073591     -0.930993      1.982156
  H      -3.935252     -0.319373      1.364131
  H      -5.059448      0.564122     -0.648665
  H      -4.104297      0.141224     -2.916375
  H      -2.006610     -1.199123     -3.136504
  H      -0.883718     -2.088611     -1.108214
  H      -6.165199     -6.150503      7.657253
  H      -7.801744     -6.078417      6.982020
  H      -6.557487     -7.096564      6.200947
  H      -5.367283     -5.073536      5.632511
  H      -7.053092     -3.659594      4.479333
  H      -8.607872     -5.211610      3.381982
  H      -8.323596     -6.441640      4.619249
  H     -10.935681     -5.984403      4.563681
  H     -12.725778     -4.983137      5.962919
  H     -12.182520     -3.126302      7.545597
  H      -9.831710     -2.303795      7.712151
  H      -8.046787     -3.312287      6.339102
  H      -3.122070     -4.510154      9.325294
  H      -4.159113     -5.602876      8.367220
  H      -4.818269     -4.059743      8.979323
  H      -4.381822     -3.765879      6.785542
  H      -2.073837     -3.503246      5.987909
  H      -0.682403     -5.491711      6.570071
  H      -1.802756     -5.914213      7.860069
  H      -0.278691     -5.732204      9.639445
  H       1.070788     -4.328904     11.180470
  H       1.479851     -1.921403     10.641890
  H       0.515637     -0.952280      8.551886
  H      -0.817835     -2.349971      7.024699
  N      -4.678899     -3.107788      4.744002
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.900386635358
  N      -3.342379     -3.485303      2.160079
  C      -2.867432     -4.500193      1.189679
  C      -2.497499     -5.871890      1.811394
  N      -3.510777     -6.282520      2.820669
  C      -4.767985     -6.800703      2.221345
  C      -5.968181     -6.504918      3.137533
  N      -5.924993     -5.111091      3.615394
  Mo     -4.094414     -4.351467      3.841461
  N      -3.103325     -5.205231      5.423687
  C      -2.294771     -6.365396      4.990532
  C      -2.986931     -7.163103      3.884665
  H      -2.122656     -7.081950      5.813611
  H      -1.286816     -6.054392      4.651874
  H      -3.854444     -7.675276      4.326998
  H      -2.303596     -7.932825      3.483260
  H      -6.885557     -6.693363      2.553241
  H      -5.979392     -7.215842      3.986382
  H      -4.922102     -6.262091      1.275361
  H      -4.692052     -7.880265      2.005121
  H      -1.999353     -4.135235      0.621884
  H      -3.673136     -4.664135      0.452760
  H      -1.532781     -5.785883      2.334840
  H      -2.391713     -6.639748      1.022179
  C      -0.294869     -3.061551      3.659190
  N      -1.714610     -2.708342      3.797055
  C      -2.487320     -2.356045      2.524782
  C      -1.595835     -1.751303      1.438565
  C      -2.352746     -1.277411      0.218965
  C      -3.531952     -0.524168      0.323124
  C      -4.184781     -0.057616     -0.818846
  C      -3.669643     -0.330211     -2.089195
  C      -2.498216     -1.080267     -2.207307
  C      -1.850594     -1.548812     -1.061552
  C      -6.757932     -6.116291      6.759189
  N      -6.339327     -4.920287      6.020060
  C      -6.923170     -4.721004      4.644323
  C      -8.309221     -5.326447      4.454841
  C      -9.384155     -4.702072      5.326573
  C     -10.701859     -5.172049      5.204488
  C     -11.736655     -4.630620      5.966835
  C     -11.470082     -3.604490      6.877669
  C     -10.163267     -3.135874      7.016761
  C      -9.125895     -3.676511      6.249581
  C      -3.902983     -4.560857      8.524329
  N      -3.490219     -3.743936      7.376866
  C      -2.468563     -4.351722      6.497418
  C      -1.382947     -5.075980      7.295818
  C      -0.620138     -4.189368      8.258626
  C      -0.116211     -4.745377      9.444039
  C       0.640709     -3.984874     10.337239
  C       0.906102     -2.642003     10.060068
  C       0.405389     -2.074029      8.886340
  C      -0.348447     -2.839160      7.993332
  H      -0.068278     -3.829245      2.892058
  H       0.061959     -3.436548      4.629137
  H       0.287822     -2.161195      3.422087
  H      -2.211088     -3.602028      3.892376
  H      -3.175866     -1.564317      2.861337
  H      -0.814453     -2.457345      1.120066
  H      -1.077635     -0.896888      1.905203
  H      -3.947098     -0.298275      1.306850
  H      -5.099786      0.528536     -0.712930
  H      -4.177791      0.043422     -2.980052
  H      -2.082877     -1.298954     -3.193194
  H      -0.930096     -2.130994     -1.158945
  H      -6.204073     -6.139702      7.707502
  H      -7.827354     -6.058024      7.004628
  H      -6.575780     -7.080110      6.242622
  H      -5.364825     -5.058185      5.711980
  H      -7.032488     -3.631656      4.524050
  H      -8.575859     -5.174868      3.395094
  H      -8.305859     -6.415351      4.622818
  H     -10.915590     -5.973406      4.491625
  H     -12.753887     -5.010070      5.849684
  H     -12.275492     -3.177477      7.478283
  H      -9.938878     -2.342311      7.732481
  H      -8.104978     -3.318395      6.401718
  H      -3.116106     -4.589612      9.292022
  H      -4.175790     -5.607991      8.278117
  H      -4.793748     -4.078836      8.953917
  H      -4.323895     -3.670283      6.779864
  H      -1.999733     -3.488856      6.002329
  H      -0.656245     -5.509626      6.592529
  H      -1.810309     -5.922373      7.855005
  H      -0.322814     -5.796050      9.665575
  H       1.023618     -4.443527     11.251241
  H       1.497196     -2.041275     10.753829
  H       0.600946     -1.024203      8.658579
  H      -0.731927     -2.370851      7.085815
  N      -4.633199     -3.045641      4.734130
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.910870764178
  N      -3.338038     -3.466465      2.180246
  C      -2.870838     -4.483985      1.208985
  C      -2.497764     -5.858741      1.819457
  N      -3.501195     -6.284150      2.829146
  C      -4.768266     -6.788829      2.246601
  C      -5.955938     -6.490397      3.177724
  N      -5.913989     -5.096746      3.656548
  Mo     -4.084997     -4.328571      3.867395
  N      -3.071279     -5.189929      5.415068
  C      -2.269872     -6.356022      4.982051
  C      -2.971940     -7.162170      3.889543
  H      -2.093532     -7.060754      5.813281
  H      -1.264913     -6.048718      4.631512
  H      -3.836547     -7.673232      4.338253
  H      -2.293737     -7.935062      3.484502
  H      -6.878942     -6.675330      2.601139
  H      -5.962875     -7.203867      4.024344
  H      -4.930374     -6.249842      1.302040
  H      -4.702775     -7.868652      2.025841
  H      -2.006555     -4.117698      0.636231
  H      -3.679346     -4.645555      0.474450
  H      -1.530881     -5.775344      2.339648
  H      -2.393457     -6.619356      1.022818
  C      -0.261582     -2.985964      3.634490
  N      -1.684887     -2.651112      3.786101
  C      -2.484779     -2.323162      2.521378
  C      -1.607334     -1.735583      1.416361
  C      -2.374968     -1.284183      0.195207
  C      -3.553103     -0.529960      0.297101
  C      -4.219495     -0.087820     -0.846132
  C      -3.719867     -0.387321     -2.116112
  C      -2.549465     -1.138658     -2.232037
  C      -1.888124     -1.581938     -1.084789
  C      -6.805481     -6.128185      6.775587
  N      -6.358020     -4.927482      6.061521
  C      -6.915572     -4.710427      4.680201
  C      -8.300094     -5.308179      4.459521
  C      -9.393089     -4.694607      5.313626
  C     -10.708780     -5.156918      5.152904
  C     -11.758837     -4.623033      5.898380
  C     -11.510058     -3.612101      6.830816
  C     -10.205227     -3.151908      7.007877
  C      -9.153129     -3.685772      6.257319
  C      -3.884681     -4.571023      8.495570
  N      -3.444200     -3.737250      7.371881
  C      -2.430788     -4.347133      6.494236
  C      -1.360115     -5.086367      7.299467
  C      -0.598162     -4.214070      8.275991
  C      -0.116894     -4.782326      9.464449
  C       0.636959     -4.036290     10.371604
  C       0.922049     -2.695679     10.105862
  C       0.444133     -2.115417      8.929110
  C      -0.306935     -2.866142      8.022629
  H      -0.032586     -3.758572      2.873197
  H       0.109196     -3.345757      4.605029
  H       0.308078     -2.081046      3.382621
  H      -2.157320     -3.554819      3.899847
  H      -3.177135     -1.536463      2.859494
  H      -0.827861     -2.445437      1.102242
  H      -1.083237     -0.873555      1.861981
  H      -3.957790     -0.284288      1.280550
  H      -5.134129      0.499067     -0.742864
  H      -4.239280     -0.034593     -3.008717
  H      -2.146678     -1.378928     -3.217880
  H      -0.969374     -2.166849     -1.181118
  H      -6.278128     -6.166731      7.738257
  H      -7.880265     -6.062634      6.993709
  H      -6.619280     -7.088436      6.254456
  H      -5.374586     -5.070191      5.789837
  H      -7.013851     -3.619503      4.565060
  H      -8.551285     -5.144288      3.398008
  H      -8.301128     -6.399038      4.613679
  H     -10.909729     -5.946179      4.423191
  H     -12.774221     -4.996367      5.751416
  H     -12.327917     -3.191217      7.418314
  H      -9.995599     -2.370762      7.741273
  H      -8.133181     -3.338639      6.439134
  H      -3.102070     -4.637458      9.264652
  H      -4.182605     -5.603500      8.220836
  H      -4.764554     -4.081489      8.937275
  H      -4.269788     -3.599913      6.776850
  H      -1.944896     -3.490073      6.003210
  H      -0.629951     -5.524945      6.603098
  H      -1.803159     -5.929757      7.849979
  H      -0.339918     -5.831015      9.678628
  H       1.000935     -4.503912     11.288552
  H       1.509743     -2.106233     10.811719
  H       0.654794     -1.066486      8.711881
  H      -0.674648     -2.387267      7.114089
  N      -4.602000     -2.991300      4.744127
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.919470407934
  N      -3.333095     -3.454443      2.206289
  C      -2.872921     -4.469043      1.229576
  C      -2.495931     -5.845508      1.827288
  N      -3.489780     -6.287154      2.835937
  C      -4.765490     -6.778621      2.268162
  C      -5.941418     -6.482788      3.213796
  N      -5.900917     -5.090694      3.697339
  Mo     -4.075698     -4.314501      3.896269
  N      -3.037327     -5.182395      5.407115
  C      -2.241139     -6.351255      4.972258
  C      -2.952886     -7.162639      3.891070
  H      -2.058186     -7.046126      5.809581
  H      -1.240090     -6.043985      4.610393
  H      -3.813000     -7.675010      4.346673
  H      -2.278075     -7.936403      3.481060
  H      -6.869304     -6.664327      2.643758
  H      -5.942984     -7.201330      4.056043
  H      -4.936101     -6.236379      1.326764
  H      -4.710598     -7.858114      2.040038
  H      -2.012391     -4.100561      0.652510
  H      -3.684585     -4.626726      0.497117
  H      -1.526968     -5.764070      2.344311
  H      -2.391377     -6.596573      1.021138
  C      -0.230408     -2.913977      3.613005
  N      -1.658075     -2.601841      3.779674
  C      -2.484195     -2.297893      2.524991
  C      -1.621757     -1.724181      1.402225
  C      -2.401828     -1.293530      0.181425
  C      -3.580380     -0.539950      0.284386
  C      -4.262450     -0.119993     -0.858127
  C      -3.778775     -0.442505     -2.128823
  C      -2.607946     -1.193513     -2.245826
  C      -1.930772     -1.613936     -1.099094
  C      -6.844056     -6.151059      6.790587
  N      -6.372718     -4.944956      6.099292
  C      -6.906124     -4.707088      4.715104
  C      -8.291861     -5.291315      4.463717
  C      -9.401589     -4.680580      5.296994
  C     -10.716306     -5.131439      5.098593
  C     -11.780392     -4.597574      5.823989
  C     -11.547503     -3.597647      6.772992
  C     -10.244117     -3.148468      6.986490
  C      -9.178191     -3.683057      6.256109
  C      -3.877125     -4.582227      8.469433
  N      -3.400762     -3.737698      7.370550
  C      -2.394380     -4.347235      6.494049
  C      -1.332616     -5.098280      7.301404
  C      -0.574036     -4.236553      8.289713
  C      -0.107222     -4.814831      9.479183
  C       0.642348     -4.078477     10.398037
  C       0.937361     -2.737749     10.143158
  C       0.473773     -2.147581      8.965293
  C      -0.273186     -2.888636      8.047599
  H       0.001983     -3.690040      2.856248
  H       0.155122     -3.259615      4.583176
  H       0.324872     -2.003734      3.347824
  H      -2.102905     -3.515753      3.911610
  H      -3.181453     -1.517422      2.865770
  H      -0.843229     -2.436427      1.091605
  H      -1.093640     -0.854930      1.828600
  H      -3.973604     -0.277748      1.268322
  H      -5.177580      0.466278     -0.754735
  H      -4.310923     -0.108779     -3.021345
  H      -2.218086     -1.452132     -3.232332
  H      -1.012729     -2.200004     -1.196677
  H      -6.340903     -6.202577      7.766022
  H      -7.923125     -6.081658      6.984103
  H      -6.651158     -7.107193      6.264816
  H      -5.380911     -5.091782      5.865632
  H      -6.991843     -3.614145      4.606829
  H      -8.524773     -5.116074      3.399913
  H      -8.301416     -6.383836      4.605157
  H     -10.905881     -5.911589      4.355974
  H     -12.794534     -4.962116      5.648486
  H     -12.376917     -3.176982      7.344348
  H     -10.047924     -2.375819      7.732608
  H      -8.159549     -3.347257      6.464310
  H      -3.104613     -4.686406      9.244417
  H      -4.200486     -5.599263      8.166662
  H      -4.747303     -4.081780      8.917476
  H      -4.212261     -3.540819      6.774052
  H      -1.895998     -3.494447      6.007321
  H      -0.599062     -5.536270      6.607952
  H      -1.784091     -5.942701      7.843228
  H      -0.338822     -5.863274      9.685877
  H       0.994162     -4.553255     11.316159
  H       1.520744     -2.155873     10.858947
  H       0.691814     -1.098091      8.757907
  H      -0.631664     -2.401544      7.139656
  N      -4.569744     -2.956529      4.756027
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.926749148497
  N      -3.326266     -3.446942      2.232827
  C      -2.873254     -4.455126      1.247808
  C      -2.493094     -5.832431      1.833670
  N      -3.478769     -6.287858      2.840500
  C      -4.761859     -6.766905      2.285304
  C      -5.927277     -6.476196      3.244187
  N      -5.887451     -5.086769      3.733969
  Mo     -4.067090     -4.304008      3.924084
  N      -3.002197     -5.177020      5.399514
  C      -2.211273     -6.347155      4.961892
  C      -2.933866     -7.161010      3.890599
  H      -2.020855     -7.034530      5.803193
  H      -1.214363     -6.039302      4.589006
  H      -3.788869     -7.674898      4.354002
  H      -2.262050     -7.935072      3.475332
  H      -6.859380     -6.654948      2.680045
  H      -5.923106     -7.200520      4.081442
  H      -4.940076     -6.220165      1.347913
  H      -4.717516     -7.845681      2.049083
  H      -2.016055     -4.085202      0.667018
  H      -3.688082     -4.607335      0.517183
  H      -1.522447     -5.752887      2.347952
  H      -2.387467     -6.574107      1.018440
  C      -0.201544     -2.844747      3.592232
  N      -1.633686     -2.558295      3.773809
  C      -2.483605     -2.277702      2.529833
  C      -1.635927     -1.715628      1.390300
  C      -2.429006     -1.305236      0.170862
  C      -3.608928     -0.553928      0.275871
  C      -4.307257     -0.156087     -0.864884
  C      -3.839048     -0.499824     -2.135928
  C      -2.666897     -1.248753     -2.254912
  C      -1.973239     -1.646537     -1.109836
  C      -6.883803     -6.174864      6.801428
  N      -6.388669     -4.965211      6.131653
  C      -6.896705     -4.705093      4.745906
  C      -8.284587     -5.272881      4.465167
  C      -9.407671     -4.663130      5.280552
  C     -10.721591     -5.099651      5.046831
  C     -11.796756     -4.564521      5.754823
  C     -11.576560     -3.577444      6.720509
  C     -10.274545     -3.141941      6.968250
  C      -9.197570     -3.678352      6.255552
  C      -3.869015     -4.602068      8.441606
  N      -3.358720     -3.742284      7.372373
  C      -2.359115     -4.347847      6.495406
  C      -1.304355     -5.108894      7.303684
  C      -0.551964     -4.255605      8.303895
  C      -0.097939     -4.842061      9.494303
  C       0.645089     -4.112833     10.424430
  C       0.946019     -2.771424     10.179899
  C       0.495062     -2.173179      9.000991
  C      -0.245573     -2.906962      8.072446
  H       0.035494     -3.623166      2.839334
  H       0.199037     -3.176387      4.561352
  H       0.337608     -1.928550      3.314717
  H      -2.050224     -3.482002      3.924308
  H      -3.186008     -1.502943      2.872404
  H      -0.857475     -2.429122      1.083209
  H      -1.105686     -0.839313      1.798894
  H      -3.990648     -0.276831      1.260256
  H      -5.223476      0.428172     -0.760354
  H      -4.384375     -0.184924     -3.027272
  H      -2.289618     -1.524233     -3.241688
  H      -1.055282     -2.232373     -1.209140
  H      -6.404537     -6.238341      7.788391
  H      -7.966550     -6.100785      6.970686
  H      -6.684130     -7.127124      6.271441
  H      -5.389005     -5.114972      5.936566
  H      -6.969357     -3.610156      4.646884
  H      -8.498236     -5.084932      3.399535
  H      -8.304322     -6.366956      4.592876
  H     -10.901906     -5.869297      4.291175
  H     -12.809819     -4.917933      5.552700
  H     -12.415079     -3.156053      7.277733
  H     -10.089017     -2.379067      7.726936
  H      -8.180581     -3.355193      6.487992
  H      -3.108053     -4.745486      9.222001
  H      -4.213161     -5.602263      8.106600
  H      -4.730941     -4.095255      8.897113
  H      -4.152369     -3.486935      6.774300
  H      -1.851995     -3.497907      6.013081
  H      -0.566879     -5.543584      6.612236
  H      -1.761725     -5.956175      7.836282
  H      -0.334879     -5.890685      9.693520
  H       0.986185     -4.593359     11.343524
  H       1.523390     -2.195111     10.904923
  H       0.717232     -1.122877      8.802591
  H      -0.596076     -2.413244      7.165005
  N      -4.540747     -2.929589      4.770427
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.933022839760
  N      -3.318127     -3.443243      2.259607
  C      -2.872432     -4.442860      1.264515
  C      -2.489421     -5.820646      1.839747
  N      -3.468312     -6.286912      2.844579
  C      -4.757406     -6.755647      2.299935
  C      -5.913714     -6.471693      3.270651
  N      -5.874264     -5.085458      3.767005
  Mo     -4.059620     -4.296129      3.951077
  N      -2.966880     -5.172834      5.393935
  C      -2.181163     -6.343293      4.952694
  C      -2.915370     -7.157918      3.890298
  H      -1.983089     -7.025772      5.795829
  H      -1.188347     -6.035075      4.569246
  H      -3.765020     -7.673041      4.362049
  H      -2.246487     -7.932140      3.469738
  H      -6.849469     -6.648926      2.712015
  H      -5.903318     -7.201545      4.103093
  H      -4.942371     -6.204010      1.366790
  H      -4.722253     -7.833477      2.055702
  H      -2.018220     -4.071851      0.680457
  H      -3.690425     -4.588790      0.535688
  H      -1.517556     -5.742616      2.351754
  H      -2.382142     -6.554268      1.016913
  C      -0.175803     -2.775528      3.573357
  N      -1.612590     -2.518771      3.769007
  C      -2.483838     -2.261224      2.535666
  C      -1.650832     -1.708271      1.380496
  C      -2.457183     -1.318012      0.163143
  C      -3.639785     -0.571180      0.270414
  C      -4.354306     -0.195750     -0.867964
  C      -3.900112     -0.558601     -2.138803
  C      -2.725345     -1.303091     -2.259977
  C      -2.015254     -1.678085     -1.117244
  C      -6.923677     -6.199605      6.809201
  N      -6.406464     -4.987929      6.159737
  C      -6.888523     -4.705096      4.772986
  C      -8.278694     -5.254594      4.463431
  C      -9.412473     -4.643418      5.262310
  C     -10.725573     -5.063106      4.995208
  C     -11.809697     -4.524915      5.687035
  C     -11.599885     -3.551339      6.668598
  C     -10.299191     -3.131794      6.948630
  C      -9.213221     -3.671715      6.252487
  C      -3.862953     -4.626213      8.416041
  N      -3.320443     -3.749716      7.378891
  C      -2.325972     -4.349007      6.499417
  C      -1.274080     -5.118079      7.305235
  C      -0.528744     -4.272514      8.317258
  C      -0.083995     -4.867136      9.506970
  C       0.651826     -4.144107     10.447873
  C       0.954567     -2.801156     10.214749
  C       0.512803     -2.194803      9.036417
  C      -0.220885     -2.922144      8.097487
  H       0.069000     -3.554696      2.823790
  H       0.240200     -3.092561      4.540928
  H       0.343907     -1.851715      3.284616
  H      -2.000460     -3.451549      3.938564
  H      -3.191750     -1.491764      2.878560
  H      -0.871044     -2.421294      1.076648
  H      -1.120833     -0.824653      1.772965
  H      -4.010881     -0.280834      1.255035
  H      -5.272638      0.384781     -0.761850
  H      -4.458625     -0.262518     -3.028369
  H      -2.359395     -1.593712     -3.246616
  H      -1.096233     -2.261840     -1.218262
  H      -6.467416     -6.273305      7.806466
  H      -8.009392     -6.120674      6.954984
  H      -6.717043     -7.148487      6.275851
  H      -5.400391     -5.138001      6.002724
  H      -6.947931     -3.608345      4.684673
  H      -8.471298     -5.053744      3.396200
  H      -8.310380     -6.349916      4.577558
  H     -10.898025     -5.821870      4.226947
  H     -12.821824     -4.865341      5.459797
  H     -12.445731     -3.127666      7.212752
  H     -10.122209     -2.378963      7.719190
  H      -8.197798     -3.362031      6.507795
  H      -3.114568     -4.808397      9.200673
  H      -4.223835     -5.608937      8.048158
  H      -4.718201     -4.115488      8.878874
  H      -4.094342     -3.436976      6.781502
  H      -1.814118     -3.500051      6.020814
  H      -0.532839     -5.545895      6.613455
  H      -1.733505     -5.970530      7.827689
  H      -0.322935     -5.916819      9.697648
  H       0.985072     -4.630546     11.366652
  H       1.525600     -2.229592     10.948421
  H       0.735869     -1.143019      8.847361
  H      -0.565915     -2.421848      7.191614
  N      -4.516340     -2.910167      4.787374
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.941628233769
  N      -3.307845     -3.442552      2.284924
  C      -2.870013     -4.433275      1.278210
  C      -2.485616     -5.812718      1.843367
  N      -3.459384     -6.286977      2.846862
  C      -4.754054     -6.747306      2.311216
  C      -5.902829     -6.469905      3.292645
  N      -5.862972     -5.086232      3.795879
  Mo     -4.053428     -4.289993      3.976168
  N      -2.932333     -5.170814      5.389422
  C      -2.152281     -6.342310      4.943777
  C      -2.898889     -7.156619      3.889098
  H      -1.947229     -7.022271      5.787032
  H      -1.163142     -6.035099      4.550195
  H      -3.743593     -7.671986      4.369307
  H      -2.233521     -7.931530      3.463414
  H      -6.841851     -6.646323      2.739199
  H      -5.886307     -7.204635      4.120768
  H      -4.944840     -6.190732      1.382250
  H      -4.726886     -7.824096      2.059437
  H      -2.018207     -4.061701      0.691446
  H      -3.691258     -4.571729      0.551199
  H      -1.512780     -5.736663      2.353419
  H      -2.377068     -6.539740      1.014349
  C      -0.150810     -2.704941      3.555453
  N      -1.592132     -2.481929      3.763812
  C      -2.482809     -2.247478      2.540641
  C      -1.664049     -1.701843      1.371033
  C      -2.483389     -1.330707      0.156411
  C      -3.669357     -0.589576      0.266240
  C      -4.399291     -0.235528     -0.869207
  C      -3.957567     -0.614968     -2.139568
  C      -2.779472     -1.353681     -2.263270
  C      -2.053777     -1.707039     -1.123462
  C      -6.965585     -6.224291      6.813162
  N      -6.427847     -5.011725      6.183353
  C      -6.883731     -4.706766      4.796079
  C      -8.275891     -5.237018      4.459212
  C      -9.417125     -4.622812      5.244522
  C     -10.729832     -5.022915      4.947153
  C     -11.820119     -4.480353      5.625737
  C     -11.617184     -3.521776      6.623240
  C     -10.317227     -3.121076      6.932661
  C      -9.225042     -3.665674      6.250121
  C      -3.853423     -4.655060      8.394898
  N      -3.286666     -3.762177      7.387457
  C      -2.295279     -4.351711      6.504394
  C      -1.242419     -5.124883      7.306254
  C      -0.506310     -4.285576      8.330143
  C      -0.068551     -4.887756      9.518428
  C       0.658298     -4.169531     10.470125
  C       0.958854     -2.824199     10.249132
  C       0.524018     -2.210300      9.072073
  C      -0.200994     -2.932586      8.122734
  H       0.105593     -3.483305      2.809121
  H       0.280406     -3.006185      4.521341
  H       0.345989     -1.771917      3.256591
  H      -1.950678     -3.422559      3.953065
  H      -3.196218     -1.482639      2.882376
  H      -0.881920     -2.412985      1.069705
  H      -1.136070     -0.810908      1.749016
  H      -4.030833     -0.287682      1.250967
  H      -5.320232      0.340392     -0.761044
  H      -4.528626     -0.336605     -3.026845
  H      -2.423476     -1.657378     -3.249569
  H      -1.132931     -2.287488     -1.226353
  H      -6.531460     -6.307077      7.819684
  H      -8.053650     -6.140106      6.936283
  H      -6.752437     -7.170387      6.277253
  H      -5.416702     -5.159360      6.063348
  H      -6.930091     -3.608497      4.719369
  H      -8.447138     -5.023010      3.390974
  H      -8.320588     -6.333231      4.559857
  H     -10.896819     -5.769703      4.166156
  H     -12.831796     -4.805611      5.375614
  H     -12.468018     -3.094715      7.156794
  H     -10.145830     -2.379532      7.715258
  H      -8.210649     -3.371320      6.526640
  H      -3.115576     -4.868470      9.181852
  H      -4.223509     -5.623054      7.998253
  H      -4.705341     -4.144939      8.864044
  H      -4.042553     -3.400292      6.794218
  H      -1.783485     -3.501277      6.028578
  H      -0.496667     -5.542522      6.613071
  H      -1.700277     -5.984542      7.818216
  H      -0.306214     -5.939321      9.699848
  H       0.985633     -4.661608     11.387968
  H       1.522372     -2.256238     10.991309
  H       0.744916     -1.156424      8.892562
  H      -0.542101     -2.426259      7.218757
  N      -4.495968     -2.896169      4.805739
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.946309957367
  N      -3.295892     -3.441222      2.308077
  C      -2.865001     -4.424945      1.289507
  C      -2.480860     -5.807840      1.845507
  N      -3.451126     -6.288240      2.848856
  C      -4.751439     -6.743026      2.321407
  C      -5.894979     -6.470520      3.312341
  N      -5.855205     -5.087162      3.821907
  Mo     -4.049327     -4.281575      3.999822
  N      -2.899645     -5.166963      5.386934
  C      -2.124961     -6.341332      4.937605
  C      -2.883277     -7.156241      3.889487
  H      -1.914039     -7.019471      5.780726
  H      -1.138983     -6.036266      4.534715
  H      -3.723632     -7.670880      4.377908
  H      -2.221321     -7.932299      3.460011
  H      -6.836642     -6.647253      2.763635
  H      -5.872556     -7.208489      4.137410
  H      -4.947334     -6.182597      1.395891
  H      -4.730633     -7.818930      2.063879
  H      -2.014865     -4.053131      0.700979
  H      -3.689209     -4.555489      0.564193
  H      -1.507357     -5.733837      2.354108
  H      -2.371332     -6.529594      1.011730
  C      -0.126942     -2.627865      3.538642
  N      -1.572266     -2.441749      3.757491
  C      -2.480460     -2.232274      2.543320
  C      -1.675034     -1.694129      1.360348
  C      -2.506794     -1.342549      0.148481
  C      -3.696702     -0.608059      0.260371
  C      -4.441036     -0.275187     -0.872093
  C      -4.010138     -0.669893     -2.141475
  C      -2.828136     -1.401914     -2.267241
  C      -2.087922     -1.733946     -1.130404
  C      -7.007021     -6.245773      6.816881
  N      -6.453932     -5.032386      6.204316
  C      -6.885054     -4.708932      4.816402
  C      -8.277535     -5.222786      4.454566
  C      -9.424929     -4.604994      5.227494
  C     -10.736768     -4.986844      4.903630
  C     -11.832075     -4.439632      5.570279
  C     -11.635175     -3.494397      6.581481
  C     -10.336305     -3.111285      6.916644
  C      -9.239025     -3.660735      6.246363
  C      -3.845145     -4.678665      8.377354
  N      -3.255963     -3.772776      7.396604
  C      -2.265820     -4.353140      6.510938
  C      -1.211444     -5.130804      7.307136
  C      -0.482792     -4.299587      8.342607
  C      -0.051269     -4.910856      9.528298
  C       0.668389     -4.199212     10.490490
  C       0.967876     -2.851738     10.282487
  C       0.539233     -2.228780      9.107840
  C      -0.178881     -2.944291      8.148345
  H       0.144555     -3.404784      2.796429
  H       0.318122     -2.911496      4.503451
  H       0.344523     -1.684988      3.230178
  H      -1.900271     -3.388502      3.967296
  H      -3.199612     -1.471424      2.881751
  H      -0.889774     -2.402636      1.061800
  H      -1.150678     -0.795418      1.724269
  H      -4.049714     -0.295325      1.244796
  H      -5.364956      0.295526     -0.762122
  H      -4.592857     -0.408802     -3.026375
  H      -2.480672     -1.717550     -3.252792
  H      -1.164600     -2.310103     -1.234744
  H      -6.592968     -6.334468      7.831427
  H      -8.096981     -6.158858      6.919071
  H      -6.785872     -7.189682      6.280100
  H      -5.439051     -5.174026      6.119289
  H      -6.920770     -3.609606      4.750010
  H      -8.428102     -4.997916      3.385534
  H      -8.333496     -6.319438      4.543950
  H     -10.898743     -5.722980      4.111624
  H     -12.842984     -4.750759      5.300042
  H     -12.489982     -3.063641      7.105570
  H     -10.169719     -2.379764      7.709591
  H      -8.225882     -3.380345      6.541768
  H      -3.118229     -4.917457      9.167358
  H      -4.220472     -5.634414      7.956665
  H      -4.696144     -4.169394      8.848938
  H      -3.994047     -3.369219      6.808129
  H      -1.755236     -3.500519      6.037626
  H      -0.462388     -5.538012      6.611131
  H      -1.667497     -5.997818      7.808235
  H      -0.288380     -5.964199      9.699655
  H       0.990495     -4.698198     11.406403
  H       1.525457     -2.288744     11.032835
  H       0.758952     -1.173035      8.938360
  H      -0.516322     -2.430964      7.246916
  N      -4.481002     -2.882563      4.824163
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.953646248005
  N      -3.253126     -3.432640      2.366859
  C      -2.846102     -4.403575      1.328945
  C      -2.472380     -5.789574      1.867011
  N      -3.440905     -6.268493      2.864179
  C      -4.745326     -6.700399      2.340559
  C      -5.879018     -6.433233      3.338777
  N      -5.832368     -5.060390      3.871018
  Mo     -4.032786     -4.249102      4.057686
  N      -2.850620     -5.154570      5.392975
  C      -2.095815     -6.336592      4.936874
  C      -2.874418     -7.141881      3.897318
  H      -1.882945     -7.014607      5.778614
  H      -1.111881     -6.042495      4.521612
  H      -3.713680     -7.649845      4.393424
  H      -2.222665     -7.923550      3.461001
  H      -6.822260     -6.596931      2.790902
  H      -5.858416     -7.183139      4.151940
  H      -4.938956     -6.127303      1.423308
  H      -4.741466     -7.773738      2.068406
  H      -1.997807     -4.036173      0.736258
  H      -3.677415     -4.515296      0.608402
  H      -1.497326     -5.728516      2.372817
  H      -2.369606     -6.502562      1.024640
  C      -0.052914     -2.511342      3.517717
  N      -1.500149     -2.374072      3.755411
  C      -2.444311     -2.208831      2.562297
  C      -1.685484     -1.684405      1.338434
  C      -2.558092     -1.374416      0.141309
  C      -3.755046     -0.654853      0.269022
  C      -4.538982     -0.363561     -0.850710
  C      -4.141313     -0.786201     -2.122624
  C      -2.952617     -1.503521     -2.264039
  C      -2.172792     -1.793734     -1.140045
  C      -7.102951     -6.300186      6.803071
  N      -6.515919     -5.074732      6.246356
  C      -6.882981     -4.701771      4.853954
  C      -8.270309     -5.190204      4.428595
  C      -9.436508     -4.581273      5.180110
  C     -10.743088     -4.931348      4.794501
  C     -11.853611     -4.387435      5.439108
  C     -11.677492     -3.477828      6.489144
  C     -10.384029     -3.126762      6.885816
  C      -9.271340     -3.673063      6.238012
  C      -3.826809     -4.679494      8.351007
  N      -3.196378     -3.773031      7.409989
  C      -2.212726     -4.353798      6.526713
  C      -1.165264     -5.150137      7.319136
  C      -0.436211     -4.330557      8.360825
  C      -0.025773     -4.947494      9.550585
  C       0.691278     -4.243923     10.518945
  C       1.009981     -2.899792     10.311901
  C       0.603667     -2.271521      9.131716
  C      -0.112592     -2.978634      8.166675
  H       0.235509     -3.299006      2.792108
  H       0.413579     -2.754090      4.487017
  H       0.382550     -1.560344      3.178897
  H      -1.781532     -3.324899      4.014619
  H      -3.167963     -1.452513      2.898718
  H      -0.898280     -2.386799      1.034560
  H      -1.162661     -0.768414      1.665419
  H      -4.081783     -0.321692      1.256310
  H      -5.467753      0.195864     -0.728422
  H      -4.755090     -0.558385     -2.997223
  H      -2.630876     -1.840861     -3.251520
  H      -1.244658     -2.359373     -1.256153
  H      -6.741185     -6.409553      7.839078
  H      -8.199680     -6.215277      6.850773
  H      -6.854006     -7.232482      6.255611
  H      -5.494244     -5.204487      6.238117
  H      -6.906012     -3.600304      4.819434
  H      -8.378078     -4.931284      3.360407
  H      -8.341921     -6.289218      4.481777
  H     -10.888441     -5.638736      3.971434
  H     -12.860234     -4.672833      5.121088
  H     -12.544434     -3.049554      6.995665
  H     -10.234014     -2.423088      7.709179
  H      -8.262869     -3.419855      6.580054
  H      -3.118655     -4.961341      9.138043
  H      -4.221636     -5.608445      7.901171
  H      -4.670994     -4.161126      8.826204
  H      -3.899079     -3.313196      6.840304
  H      -1.691984     -3.503649      6.056797
  H      -0.415025     -5.559710      6.625129
  H      -1.632658     -6.017405      7.810984
  H      -0.278806     -5.998257      9.721399
  H       0.995577     -4.746687     11.438987
  H       1.565326     -2.343170     11.067038
  H       0.839055     -1.218427      8.962528
  H      -0.432393     -2.462462      7.259582
  N      -4.430590     -2.840420      4.880992
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.958321402986
  N      -3.201339     -3.430206      2.410123
  C      -2.820206     -4.391393      1.361504
  C      -2.461947     -5.776937      1.891556
  N      -3.435407     -6.240683      2.882112
  C      -4.737047     -6.656158      2.353659
  C      -5.864090     -6.392281      3.350996
  N      -5.811292     -5.029708      3.898103
  Mo     -4.014480     -4.212738      4.098739
  N      -2.820034     -5.133600      5.403492
  C      -2.086618     -6.322276      4.945547
  C      -2.879885     -7.118532      3.912949
  H      -1.877983     -7.002138      5.787104
  H      -1.101330     -6.041809      4.523767
  H      -3.722865     -7.616098      4.413204
  H      -2.238292     -7.908563      3.476129
  H      -6.808192     -6.546644      2.801809
  H      -5.846321     -7.149602      4.157633
  H      -4.923990     -6.074127      1.440552
  H      -4.743418     -7.727541      2.072971
  H      -1.970615     -4.031511      0.766886
  H      -3.657181     -4.485554      0.645152
  H      -1.485638     -5.727655      2.396463
  H      -2.367214     -6.489973      1.048178
  C       0.022858     -2.446564      3.481069
  N      -1.419371     -2.337437      3.740353
  C      -2.391874     -2.203284      2.573193
  C      -1.688293     -1.688271      1.311310
  C      -2.602285     -1.405707      0.140303
  C      -3.803123     -0.699679      0.294693
  C      -4.620554     -0.429766     -0.803152
  C      -4.253548     -0.861363     -2.079147
  C      -3.062258     -1.567132     -2.246913
  C      -2.249444     -1.836452     -1.145028
  C      -7.165017     -6.349664      6.762165
  N      -6.567385     -5.109161      6.258601
  C      -6.881925     -4.692822      4.868512
  C      -8.259497     -5.168323      4.404362
  C      -9.435050     -4.565498      5.143963
  C     -10.731418     -4.907658      4.740536
  C     -11.847855     -4.368386      5.376570
  C     -11.687708     -3.469246      6.432933
  C     -10.404855     -3.124701      6.845304
  C      -9.285852     -3.668675      6.208804
  C      -3.848387     -4.702948      8.326076
  N      -3.151324     -3.763013      7.435832
  C      -2.177417     -4.350294      6.546533
  C      -1.143349     -5.169066      7.335854
  C      -0.410658     -4.354176      8.377582
  C      -0.023399     -4.961860      9.579300
  C       0.691539     -4.256313     10.546496
  C       1.031990     -2.920514     10.324835
  C       0.651672     -2.302228      9.130685
  C      -0.062746     -3.010793      8.166719
  H       0.317673     -3.246207      2.772610
  H       0.502761     -2.654711      4.452807
  H       0.434487     -1.496649      3.112762
  H      -1.671670     -3.278223      4.051556
  H      -3.113507     -1.445787      2.910061
  H      -0.901182     -2.382774      0.990421
  H      -1.167486     -0.760842      1.606155
  H      -4.104617     -0.359019      1.285995
  H      -5.551320      0.120428     -0.660417
  H      -4.892735     -0.649541     -2.936242
  H      -2.764313     -1.911505     -3.237813
  H      -1.318515     -2.392348     -1.280968
  H      -6.841681     -6.475885      7.806326
  H      -8.260964     -6.274759      6.770517
  H      -6.887926     -7.268158      6.205307
  H      -5.552008     -5.221143      6.311474
  H      -6.902513     -3.591335      4.862034
  H      -8.344749     -4.893182      3.340709
  H      -8.332236     -6.266163      4.438920
  H     -10.863918     -5.606561      3.912366
  H     -12.846005     -4.648914      5.046378
  H     -12.559250     -3.043405      6.931673
  H     -10.267275     -2.428329      7.672202
  H      -8.286198     -3.420582      6.562145
  H      -3.162836     -5.067775      9.131850
  H      -4.286711     -5.606932      7.813016
  H      -4.681005     -4.163689      8.803555
  H      -3.832970     -3.214090      6.860865
  H      -1.639607     -3.502221      6.087425
  H      -0.395045     -5.586157      6.644464
  H      -1.625978     -6.032164      7.822414
  H      -0.294542     -6.005352      9.761983
  H       0.976113     -4.751095     11.477057
  H       1.585388     -2.362265     11.079526
  H       0.905850     -1.256193      8.949117
  H      -0.359856     -2.503858      7.245012
  N      -4.385713     -2.799898      4.932324
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.963080562704
  N      -3.142842     -3.448066      2.462105
  C      -2.783734     -4.392655      1.402132
  C      -2.441586     -5.779586      1.921687
  N      -3.426056     -6.230282      2.902256
  C      -4.721224     -6.631901      2.358796
  C      -5.847625     -6.374598      3.348056
  N      -5.790984     -5.024663      3.912086
  Mo     -3.997341     -4.199944      4.136701
  N      -2.797056     -5.132550      5.418742
  C      -2.080140     -6.323381      4.961017
  C      -2.884520     -7.113092      3.934240
  H      -1.874563     -7.005029      5.803222
  H      -1.093365     -6.053191      4.534480
  H      -3.732283     -7.602555      4.436160
  H      -2.250520     -7.910251      3.498943
  H      -6.790441     -6.519050      2.792408
  H      -5.837070     -7.140812      4.147430
  H      -4.897074     -6.039868      1.448779
  H      -4.732499     -7.700503      2.067282
  H      -1.929759     -4.036759      0.811652
  H      -3.622742     -4.465757      0.685841
  H      -1.465250     -5.740966      2.429341
  H      -2.349921     -6.493439      1.077371
  C       0.101206     -2.420072      3.437482
  N      -1.334147     -2.338319      3.732336
  C      -2.334271     -2.221967      2.603761
  C      -1.692790     -1.704792      1.314759
  C      -2.652971     -1.437847      0.185611
  C      -3.855455     -0.747197      0.384010
  C      -4.715475     -0.492244     -0.679619
  C      -4.391140     -0.924704     -1.964599
  C      -3.198183     -1.615710     -2.175410
  C      -2.342467     -1.869555     -1.107643
  C      -7.246283     -6.439941      6.679139
  N      -6.633117     -5.183252      6.243136
  C      -6.886096     -4.706063      4.862252
  C      -8.259275     -5.138768      4.350831
  C      -9.436469     -4.533196      5.084275
  C     -10.733333     -4.823104      4.635970
  C     -11.851133     -4.275194      5.261263
  C     -11.691198     -3.420250      6.352961
  C     -10.407909     -3.128854      6.811195
  C      -9.287808     -3.680595      6.184816
  C      -3.817364     -4.695948      8.348281
  N      -3.132839     -3.773229      7.457344
  C      -2.159275     -4.352779      6.559963
  C      -1.122943     -5.160820      7.339002
  C      -0.387575     -4.340080      8.371505
  C      -0.011162     -4.930194      9.581625
  C       0.706149     -4.217318     10.541257
  C       1.060914     -2.892115     10.300994
  C       0.695284     -2.291884      9.096034
  C      -0.022327     -3.007283      8.139264
  H       0.399479     -3.225303      2.740288
  H       0.599142     -2.600077      4.403303
  H       0.486357     -1.470533      3.043105
  H      -1.559109     -3.263421      4.095462
  H      -3.053486     -1.463931      2.948874
  H      -0.905637     -2.386141      0.963142
  H      -1.177358     -0.771501      1.584507
  H      -4.123678     -0.406365      1.382840
  H      -5.647336      0.046439     -0.503578
  H      -5.064516     -0.725530     -2.795540
  H      -2.933644     -1.961217     -3.174133
  H      -1.410627     -2.414555     -1.276532
  H      -6.967457     -6.594815      7.728378
  H      -8.338011     -6.369046      6.643206
  H      -6.943176     -7.340558      6.110768
  H      -5.630551     -5.278686      6.359482
  H      -6.892524     -3.605131      4.893128
  H      -8.316404     -4.827164      3.296612
  H      -8.353283     -6.234841      4.349064
  H     -10.865469     -5.486595      3.779136
  H     -12.849861     -4.514135      4.894093
  H     -12.563223     -2.987398      6.843799
  H     -10.270509     -2.467678      7.666420
  H      -8.288884     -3.474941      6.575421
  H      -3.151570     -5.029547      9.140511
  H      -4.214826     -5.591431      7.852362
  H      -4.660448     -4.183113      8.821473
  H      -3.799606     -3.231398      6.899474
  H      -1.629772     -3.508711      6.098346
  H      -0.378866     -5.579345      6.645115
  H      -1.601315     -6.019160      7.827000
  H      -0.293798     -5.964849      9.778648
  H       0.980430     -4.698647     11.479560
  H       1.616425     -2.327732     11.050103
  H       0.963942     -1.254603      8.899029
  H      -0.302674     -2.516056      7.204157
  N      -4.354089     -2.794114      4.983010
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.965107755107
  N      -3.105112     -3.446811      2.498831
  C      -2.749186     -4.383715      1.431728
  C      -2.399574     -5.771061      1.952124
  N      -3.390052     -6.219326      2.930494
  C      -4.679167     -6.631020      2.375650
  C      -5.812223     -6.384852      3.359926
  N      -5.763642     -5.035629      3.929731
  Mo     -3.978513     -4.181864      4.163972
  N      -2.757622     -5.102191      5.438475
  C      -2.046099     -6.299018      4.991139
  C      -2.853087     -7.097221      3.971716
  H      -1.839693     -6.974268      5.839803
  H      -1.058778     -6.035702      4.559776
  H      -3.701857     -7.581672      4.477487
  H      -2.220301     -7.899873      3.544029
  H      -6.753258     -6.534667      2.801286
  H      -5.799768     -7.153896      4.157404
  H      -4.854084     -6.037318      1.465711
  H      -4.680729     -7.698909      2.079588
  H      -1.896624     -4.023600      0.841087
  H      -3.590080     -4.455799      0.716048
  H      -1.424167     -5.725413      2.462228
  H      -2.300706     -6.489318      1.111267
  C       0.138087     -2.326359      3.402908
  N      -1.299632     -2.291655      3.726966
  C      -2.324028     -2.196464      2.625767
  C      -1.731497     -1.662012      1.321071
  C      -2.746400     -1.450534      0.216786
  C      -3.972798     -0.804750      0.441310
  C      -4.898248     -0.621328     -0.604569
  C      -4.616840     -1.082034     -1.896697
  C      -3.397892     -1.724816     -2.132888
  C      -2.474953     -1.904843     -1.082824
  C      -7.292720     -6.484722      6.629741
  N      -6.667149     -5.223226      6.229198
  C      -6.877975     -4.714990      4.856252
  C      -8.251082     -5.100448      4.295604
  C      -9.445891     -4.483491      5.000525
  C     -10.737814     -4.726641      4.480881
  C     -11.875088     -4.167636      5.068471
  C     -11.740695     -3.349958      6.197279
  C     -10.462827     -3.105853      6.728303
  C      -9.323237     -3.665864      6.136594
  C      -3.811509     -4.660449      8.339065
  N      -3.091122     -3.737343      7.471397
  C      -2.120548     -4.325330      6.578687
  C      -1.093366     -5.152246      7.361159
  C      -0.321498     -4.361319      8.405904
  C       0.010219     -4.980724      9.630607
  C       0.762740     -4.305312     10.609046
  C       1.201066     -2.988387     10.371130
  C       0.883790     -2.359670      9.149820
  C       0.129147     -3.037398      8.174904
  H       0.452757     -3.127673      2.706508
  H       0.664736     -2.483063      4.359896
  H       0.483126     -1.361820      2.993155
  H      -1.495063     -3.217179      4.124739
  H      -3.059770     -1.451247      2.975793
  H      -0.926580     -2.317674      0.953822
  H      -1.241930     -0.702491      1.566281
  H      -4.212291     -0.446663      1.445845
  H      -5.849585     -0.119380     -0.408873
  H      -5.344721     -0.942573     -2.714037
  H      -3.166695     -2.092903     -3.137435
  H      -1.526931     -2.417305     -1.271557
  H      -7.047602     -6.655877      7.687086
  H      -8.384872     -6.411162      6.559678
  H      -6.972193     -7.378342      6.060294
  H      -5.664130     -5.305372      6.389921
  H      -6.865018     -3.614257      4.908342
  H      -8.266091     -4.762272      3.243762
  H      -8.375090     -6.194148      4.265321
  H     -10.849828     -5.360504      3.594297
  H     -12.869061     -4.368954      4.643003
  H     -12.627531     -2.909261      6.660504
  H     -10.345612     -2.474151      7.614449
  H      -8.331241     -3.497387      6.584870
  H      -3.162329     -5.023755      9.143379
  H      -4.223576     -5.546324      7.821051
  H      -4.653727     -4.132485      8.800664
  H      -3.734888     -3.180288      6.913148
  H      -1.583882     -3.487222      6.114710
  H      -0.359028     -5.588888      6.667939
  H      -1.596940     -6.004711      7.845374
  H      -0.337263     -6.009271      9.824647
  H       0.999487     -4.809556     11.558708
  H       1.785360     -2.453247     11.133732
  H       1.220893     -1.329130      8.953726
  H      -0.106044     -2.526611      7.225336
  N      -4.346741     -2.781914      5.012585
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.968811638070
  N      -3.061590     -3.497827      2.540128
  C      -2.714864     -4.431583      1.460604
  C      -2.369149     -5.826117      1.979759
  N      -3.368597     -6.267788      2.957766
  C      -4.656413     -6.680806      2.389735
  C      -5.797683     -6.433594      3.369844
  N      -5.745278     -5.082665      3.945775
  Mo     -3.961552     -4.219412      4.189741
  N      -2.731077     -5.134475      5.462746
  C      -2.028031     -6.343586      5.024526
  C      -2.842512     -7.144070      4.009663
  H      -1.826513     -7.014273      5.877174
  H      -1.038565     -6.093345      4.589810
  H      -3.696008     -7.615723      4.518279
  H      -2.217068     -7.957201      3.589702
  H      -6.736643     -6.580419      2.808349
  H      -5.791734     -7.204277      4.164499
  H      -4.824473     -6.084236      1.481389
  H      -4.655441     -7.747934      2.087510
  H      -1.860668     -4.074584      0.870564
  H      -3.556993     -4.494827      0.745195
  H      -1.396431     -5.782313      2.492588
  H      -2.268473     -6.546322      1.140883
  C       0.174534     -2.330761      3.363499
  N      -1.257133     -2.327701      3.731156
  C      -2.302207     -2.229006      2.663860
  C      -1.742237     -1.662753      1.357656
  C      -2.791657     -1.444700      0.292916
  C      -4.011086     -0.809681      0.570769
  C      -4.960717     -0.602653     -0.435066
  C      -4.712797     -1.032047     -1.739667
  C      -3.504014     -1.667854     -2.029425
  C      -2.555687     -1.870144     -1.019538
  C      -7.360803     -6.543568      6.578051
  N      -6.705986     -5.284252      6.211860
  C      -6.872290     -4.744513      4.849645
  C      -8.248365     -5.069874      4.246413
  C      -9.446200     -4.431522      4.931679
  C     -10.731985     -4.636656      4.373379
  C     -11.873612     -4.066470      4.943614
  C     -11.750993     -3.272723      6.093264
  C     -10.479792     -3.062883      6.660235
  C      -9.335734     -3.636030      6.087188
  C      -3.816318     -4.697996      8.335198
  N      -3.064697     -3.766596      7.496115
  C      -2.097641     -4.356780      6.605963
  C      -1.059400     -5.165057      7.392732
  C      -0.292407     -4.341821      8.396853
  C       0.057040     -4.895766      9.627880
  C       0.807479     -4.176628     10.551773
  C       1.222143     -2.883171     10.253940
  C       0.884770     -2.321400      9.027662
  C       0.136413     -3.042208      8.108160
  H       0.487459     -3.118013      2.651236
  H       0.738009     -2.483989      4.298448
  H       0.485749     -1.355076      2.949806
  H      -1.434860     -3.248411      4.150868
  H      -3.043719     -1.497885      3.033575
  H      -0.934606     -2.293899      0.957585
  H      -1.260284     -0.701085      1.604930
  H      -4.222612     -0.471429      1.586275
  H      -5.902414     -0.105110     -0.198116
  H      -5.457168     -0.871471     -2.524209
  H      -3.298634     -2.010733     -3.043919
  H      -1.613339     -2.373318     -1.249244
  H      -7.150754     -6.740071      7.644588
  H      -8.454736     -6.451307      6.475412
  H      -7.036692     -7.433437      6.004247
  H      -5.698995     -5.365403      6.414454
  H      -6.825730     -3.644548      4.924295
  H      -8.226376     -4.710602      3.197779
  H      -8.410081     -6.159746      4.193052
  H     -10.835236     -5.253081      3.471575
  H     -12.861388     -4.241445      4.490264
  H     -12.641222     -2.823961      6.543455
  H     -10.371757     -2.449113      7.562379
  H      -8.352358     -3.496430      6.564300
  H      -3.179955     -5.099882      9.156440
  H      -4.243753     -5.576496      7.780967
  H      -4.659217     -4.155284      8.788756
  H      -3.692962     -3.187024      6.941883
  H      -1.565273     -3.517360      6.137287
  H      -0.326929     -5.606522      6.699590
  H      -1.547937     -6.006666      7.899649
  H      -0.271113     -5.906362      9.867784
  H       1.061894     -4.628144     11.505647
  H       1.802953     -2.315223     10.972512
  H       1.202166     -1.311115      8.784884
  H      -0.113043     -2.585745      7.155218
  N      -4.331933     -2.818031      5.034910
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.970577099865
  N      -3.031330     -3.521581      2.535762
  C      -2.693941     -4.457974      1.454155
  C      -2.361464     -5.853245      1.982254
  N      -3.369101     -6.279066      2.958271
  C      -4.652812     -6.694763      2.383387
  C      -5.796934     -6.442944      3.360455
  N      -5.741820     -5.088814      3.930940
  Mo     -3.959027     -4.214864      4.176586
  N      -2.723187     -5.119463      5.452873
  C      -2.034402     -6.343429      5.029497
  C      -2.856322     -7.147313      4.022533
  H      -1.841864     -7.006293      5.889200
  H      -1.041953     -6.111299      4.592590
  H      -3.716135     -7.601007      4.535087
  H      -2.240046     -7.973635      3.614681
  H      -6.736275     -6.591544      2.800684
  H      -5.792115     -7.209867      4.158203
  H      -4.815747     -6.100534      1.473350
  H      -4.649614     -7.762674      2.083589
  H      -1.834526     -4.109379      0.866335
  H      -3.534464     -4.514215      0.737511
  H      -1.392747     -5.811910      2.500162
  H      -2.261371     -6.579698      1.150348
  C       0.197751     -2.336527      3.297101
  N      -1.219417     -2.340097      3.686652
  C      -2.281288     -2.245471      2.645030
  C      -1.749521     -1.671792      1.325556
  C      -2.812288     -1.445599      0.282985
  C      -4.013697     -0.796198      0.591939
  C      -4.962417     -0.561144     -0.387138
  C      -4.734389     -0.979934     -1.696440
  C      -3.547820     -1.635324     -2.017733
  C      -2.599991     -1.865427     -1.034904
  C      -7.395357     -6.553917      6.516153
  N      -6.737712     -5.294550      6.173527
  C      -6.876020     -4.743640      4.821887
  C      -8.245678     -5.067813      4.218586
  C      -9.428500     -4.432002      4.917739
  C     -10.705224     -4.676658      4.425482
  C     -11.827023     -4.127735      5.036732
  C     -11.692478     -3.307544      6.153383
  C     -10.430728     -3.050077      6.644948
  C      -9.306808     -3.610655      6.038979
  C      -3.821072     -4.652041      8.314301
  N      -3.054024     -3.739130      7.482891
  C      -2.089906     -4.342547      6.600306
  C      -1.066998     -5.161440      7.407486
  C      -0.305044     -4.340480      8.421179
  C      -0.023609     -4.878007      9.687101
  C       0.714935     -4.160128     10.628266
  C       1.188286     -2.885336     10.312318
  C       0.922349     -2.341524      9.049347
  C       0.184252     -3.060720      8.113473
  H       0.503699     -3.129701      2.586609
  H       0.777327     -2.473391      4.224600
  H       0.491064     -1.367258      2.870263
  H      -1.384592     -3.243431      4.134814
  H      -3.017881     -1.520305      3.026885
  H      -0.946663     -2.295115      0.907465
  H      -1.269508     -0.710059      1.567849
  H      -4.206365     -0.461216      1.611771
  H      -5.886404     -0.047880     -0.126350
  H      -5.475369     -0.794389     -2.458919
  H      -3.358709     -1.969490     -3.036188
  H      -1.671178     -2.379277     -1.288522
  H      -7.204342     -6.759727      7.581548
  H      -8.485471     -6.459708      6.396607
  H      -7.061189     -7.440088      5.939940
  H      -5.741368     -5.366329      6.407311
  H      -6.821445     -3.645866      4.907725
  H      -8.235770     -4.722237      3.173622
  H      -8.399580     -6.156095      4.177130
  H     -10.818542     -5.317320      3.553175
  H     -12.807129     -4.341670      4.643893
  H     -12.567491     -2.874699      6.633454
  H     -10.312101     -2.412843      7.516173
  H      -8.331465     -3.436117      6.456875
  H      -3.201677     -5.038559      9.138043
  H      -4.232000     -5.527586      7.770103
  H      -4.669940     -4.109032      8.751982
  H      -3.674682     -3.135087      6.929961
  H      -1.542483     -3.504525      6.133242
  H      -0.329195     -5.616178      6.727608
  H      -1.577313     -5.996835      7.916875
  H      -0.399909     -5.873169      9.942375
  H       0.913381     -4.597749     11.611423
  H       1.760069     -2.317838     11.045250
  H       1.288157     -1.345981      8.791901
  H      -0.006306     -2.619237      7.131178
  N      -4.324976     -2.799049      5.009302
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.973987937842
  N      -2.988175     -3.511757      2.588360
  C      -2.658357     -4.429059      1.495123
  C      -2.340537     -5.830371      2.007052
  N      -3.355501     -6.254367      2.973625
  C      -4.632488     -6.661288      2.385457
  C      -5.778911     -6.418972      3.358854
  N      -5.719416     -5.077163      3.947039
  Mo     -3.941874     -4.197796      4.208680
  N      -2.700852     -5.112895      5.470948
  C      -2.024859     -6.338001      5.040903
  C      -2.854500     -7.129343      4.033442
  H      -1.836801     -7.005805      5.895995
  H      -1.031161     -6.112817      4.603343
  H      -3.720280     -7.572690      4.544700
  H      -2.247709     -7.961504      3.624577
  H      -6.718001     -6.555816      2.796705
  H      -5.777751     -7.195677      4.146612
  H      -4.788988     -6.053793      1.483668
  H      -4.626417     -7.724126      2.071085
  H      -1.793277     -4.076666      0.916568
  H      -3.497119     -4.466978      0.777812
  H      -1.374674     -5.800600      2.530175
  H      -2.242471     -6.550007      1.169837
  C       0.235460     -2.320224      3.276375
  N      -1.163916     -2.332570      3.698412
  C      -2.249939     -2.236394      2.691188
  C      -1.770576     -1.653982      1.354162
  C      -2.874549     -1.471523      0.338908
  C      -4.087792     -0.851440      0.671134
  C      -5.092942     -0.687835     -0.288765
  C      -4.907353     -1.145624     -1.600353
  C      -3.704509     -1.764756     -1.943644
  C      -2.701192     -1.924077     -0.980395
  C      -7.436533     -6.611163      6.439191
  N      -6.771213     -5.341826      6.158400
  C      -6.864284     -4.737400      4.824286
  C      -8.222476     -5.006477      4.166986
  C      -9.413878     -4.374242      4.852661
  C     -10.683276     -4.548074      4.281869
  C     -11.817083     -3.990163      4.865758
  C     -11.701274     -3.236864      6.038629
  C     -10.445217     -3.054643      6.613121
  C      -9.310032     -3.619069      6.028806
  C      -3.791584     -4.709846      8.341189
  N      -3.028210     -3.768826      7.532979
  C      -2.067701     -4.346318      6.624287
  C      -1.028007     -5.158696      7.403382
  C      -0.264671     -4.333624      8.412999
  C       0.015779     -4.864484      9.678900
  C       0.756616     -4.144709     10.619988
  C       1.232055     -2.872699     10.304654
  C       0.967017     -2.334230      9.041658
  C       0.227872     -3.056543      8.103806
  H       0.529872     -3.110993      2.561439
  H       0.832655     -2.449370      4.189009
  H       0.510239     -1.355899      2.841240
  H      -1.312062     -3.219351      4.170307
  H      -2.985222     -1.524077      3.092904
  H      -0.967775     -2.263333      0.915338
  H      -1.307334     -0.677997      1.576271
  H      -4.253452     -0.493750      1.691648
  H      -6.030518     -0.202986     -0.010752
  H      -5.696909     -1.020750     -2.348943
  H      -3.548194     -2.130114     -2.964026
  H      -1.764198     -2.416724     -1.251908
  H      -7.267778     -6.852307      7.495012
  H      -8.518410     -6.514391      6.302596
  H      -7.093927     -7.477200      5.840636
  H      -5.793313     -5.404269      6.425467
  H      -6.784559     -3.645698      4.952275
  H      -8.168219     -4.617033      3.137675
  H      -8.404105     -6.089037      4.072815
  H     -10.781472     -5.134266      3.363451
  H     -12.793360     -4.143549      4.405494
  H     -12.585713     -2.798066      6.499201
  H     -10.341168     -2.471331      7.530180
  H      -8.339510     -3.502757      6.510383
  H      -3.185367     -5.102868      9.161281
  H      -4.178300     -5.575231      7.773157
  H      -4.645715     -4.189561      8.787611
  H      -3.645559     -3.137834      6.986344
  H      -1.539232     -3.494926      6.168380
  H      -0.301381     -5.600661      6.704905
  H      -1.516761     -6.000110      7.913023
  H      -0.361602     -5.856530      9.934177
  H       0.955372     -4.578683     11.602224
  H       1.805517     -2.302872     11.038984
  H       1.335189     -1.340129      8.784555
  H       0.039232     -2.617902      7.118975
  N      -4.307414     -2.795640      5.060096
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.975258773191
  N      -2.961991     -3.561285      2.620092
  C      -2.627728     -4.479420      1.528749
  C      -2.303966     -5.877823      2.050672
  N      -3.321288     -6.299120      3.019015
  C      -4.593176     -6.723693      2.427195
  C      -5.745611     -6.485298      3.394793
  N      -5.691404     -5.140051      3.976996
  Mo     -3.924092     -4.233804      4.234275
  N      -2.663004     -5.117996      5.500844
  C      -1.986418     -6.349245      5.089037
  C      -2.818302     -7.158549      4.094228
  H      -1.794234     -7.003696      5.956560
  H      -0.993802     -6.128421      4.645229
  H      -3.684911     -7.592507      4.614839
  H      -2.213046     -7.998829      3.698955
  H      -6.684043     -6.630487      2.831631
  H      -5.741167     -7.258336      4.187115
  H      -4.752086     -6.119071      1.521787
  H      -4.574852     -7.787588      2.116249
  H      -1.762402     -4.122718      0.951411
  H      -3.466986     -4.524569      0.810638
  H      -1.338584     -5.838278      2.576949
  H      -2.200802     -6.604065      1.219322
  C       0.255429     -2.291707      3.219155
  N      -1.135689     -2.338138      3.682026
  C      -2.258127     -2.261065      2.708752
  C      -1.838083     -1.649391      1.363910
  C      -2.987524     -1.477357      0.400594
  C      -4.205614     -0.900597      0.793119
  C      -5.246051     -0.724794     -0.117621
  C      -5.088536     -1.121171     -1.438921
  C      -3.882238     -1.698661     -1.842286
  C      -2.846717     -1.876098     -0.927707
  C      -7.478959     -6.668264      6.415603
  N      -6.797372     -5.403807      6.160574
  C      -6.848185     -4.782466      4.832205
  C      -8.193474     -4.997304      4.125635
  C      -9.401027     -4.328754      4.760530
  C     -10.656597     -4.454621      4.117544
  C     -11.809477     -3.853287      4.635176
  C     -11.728647     -3.106244      5.816113
  C     -10.486465     -2.975278      6.467159
  C      -9.331590     -3.580409      5.945857
  C      -3.797833     -4.702622      8.330261
  N      -3.004414     -3.761859      7.542812
  C      -2.036442     -4.339854      6.642926
  C      -0.988941     -5.145402      7.418494
  C      -0.204299     -4.320929      8.414128
  C       0.049767     -4.837254      9.694616
  C       0.814434     -4.124320     10.626481
  C       1.341569     -2.872760     10.286847
  C       1.101717     -2.347970      9.009642
  C       0.338256     -3.063890      8.081257
  H       0.548429     -3.082358      2.499770
  H       0.894654     -2.396842      4.113526
  H       0.487394     -1.315053      2.762734
  H      -1.259426     -3.222431      4.184682
  H      -3.004603     -1.571164      3.134557
  H      -1.035633     -2.228192      0.885726
  H      -1.392076     -0.666578      1.586585
  H      -4.346925     -0.584838      1.821575
  H      -6.185548     -0.272641      0.208133
  H      -5.901408     -0.979878     -2.149032
  H      -3.745560     -2.012965     -2.870540
  H      -1.904122     -2.330179     -1.246564
  H      -7.339734     -6.923458      7.475120
  H      -8.558876     -6.557379      6.252333
  H      -7.130039     -7.533236      5.817944
  H      -5.823942     -5.460679      6.460465
  H      -6.742884     -3.695113      4.975058
  H      -8.078871     -4.596725      3.100758
  H      -8.411789     -6.071254      4.009299
  H     -10.726929     -5.032895      3.190127
  H     -12.774661     -3.966406      4.114082
  H     -12.628307     -2.632831      6.225706
  H     -10.410583     -2.397355      7.392579
  H      -8.373282     -3.499986      6.484919
  H      -3.208540     -5.118339      9.167223
  H      -4.193602     -5.562456      7.741250
  H      -4.655395     -4.169880      8.758646
  H      -3.603202     -3.148903      6.998663
  H      -1.516719     -3.490645      6.178892
  H      -0.272972     -5.597648      6.715526
  H      -1.475658     -5.979583      7.940098
  H      -0.366182     -5.814109      9.967897
  H       0.993566     -4.547884     11.619465
  H       1.935207     -2.309102     11.012917
  H       1.510502     -1.369996      8.733591
  H       0.171249     -2.637068      7.085245
  N      -4.302488     -2.826830      5.072142
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.977586931785
  N      -2.915064     -3.567553      2.653429
  C      -2.580992     -4.474915      1.552242
  C      -2.273398     -5.881528      2.064014
  N      -3.302347     -6.300024      3.023086
  C      -4.568618     -6.718223      2.415506
  C      -5.727652     -6.484803      3.376980
  N      -5.669979     -5.145560      3.972091
  Mo     -3.905081     -4.236018      4.244182
  N      -2.643470     -5.125458      5.506526
  C      -1.977729     -6.363855      5.097458
  C      -2.814654     -7.163666      4.101150
  H      -1.794910     -7.019749      5.964700
  H      -0.981735     -6.154154      4.656184
  H      -3.689311     -7.582412      4.619676
  H      -2.219699     -8.013782      3.710944
  H      -6.663339     -6.620860      2.808682
  H      -5.730175     -7.264501      4.161541
  H      -4.719471     -6.102963      1.516640
  H      -4.546760     -7.778638      2.092957
  H      -1.707220     -4.118380      0.988223
  H      -3.414851     -4.504813      0.827670
  H      -1.312459     -5.853299      2.597794
  H      -2.170453     -6.602704      1.228216
  C       0.293410     -2.284512      3.175035
  N      -1.081989     -2.345305      3.678962
  C      -2.228559     -2.261357      2.744832
  C      -1.850226     -1.626242      1.399185
  C      -3.028334     -1.474957      0.466735
  C      -4.233680     -0.895787      0.889816
  C      -5.312816     -0.762170      0.006766
  C      -5.210261     -1.208842     -1.317195
  C      -4.015270     -1.785447     -1.750928
  C      -2.937166     -1.914230     -0.863655
  C      -7.540937     -6.694671      6.326033
  N      -6.838423     -5.432173      6.120824
  C      -6.839702     -4.779845      4.808616
  C      -8.173993     -4.953786      4.073605
  C      -9.377304     -4.280203      4.706517
  C     -10.626033     -4.404480      4.072607
  C     -11.773582     -3.811736      4.602622
  C     -11.694107     -3.070627      5.783363
  C     -10.458755     -2.935621      6.420393
  C      -9.309981     -3.536531      5.890207
  C      -3.803156     -4.738351      8.322628
  N      -2.996418     -3.789302      7.558535
  C      -2.023422     -4.354888      6.657114
  C      -0.970314     -5.156116      7.433091
  C      -0.192878     -4.318241      8.418399
  C       0.033379     -4.791090      9.716460
  C       0.790639     -4.057957     10.630584
  C       1.336527     -2.830623     10.256511
  C       1.121920     -2.349579      8.963135
  C       0.367566     -3.085489      8.053277
  H       0.572775     -3.065645      2.440604
  H       0.962415     -2.388884      4.043804
  H       0.500707     -1.304005      2.716880
  H      -1.192497     -3.219515      4.199749
  H      -2.972254     -1.589110      3.201786
  H      -1.050609     -2.188276      0.896217
  H      -1.417978     -0.636062      1.618166
  H      -4.336074     -0.545233      1.920954
  H      -6.241909     -0.308561      0.355732
  H      -6.057525     -1.106901     -2.005777
  H      -3.921844     -2.140948     -2.782332
  H      -2.006449     -2.373314     -1.205990
  H      -7.438781     -6.979513      7.386614
  H      -8.618088     -6.566560      6.130119
  H      -7.184231     -7.549468      5.717019
  H      -5.873098     -5.488475      6.460305
  H      -6.711962     -3.699674      4.981840
  H      -8.036863     -4.539590      3.058967
  H      -8.408311     -6.021404      3.936782
  H     -10.695996     -4.980958      3.147726
  H     -12.733227     -3.929173      4.094027
  H     -12.589540     -2.604913      6.202583
  H     -10.383542     -2.360655      7.343922
  H      -8.358523     -3.453878      6.417759
  H      -3.228321     -5.163270      9.167362
  H      -4.187490     -5.591523      7.715192
  H      -4.667800     -4.210118      8.742350
  H      -3.585524     -3.171029      7.020961
  H      -1.509186     -3.495367      6.201036
  H      -0.254625     -5.605303      6.727513
  H      -1.450658     -5.990913      7.962405
  H      -0.396963     -5.749227     10.016108
  H       0.950736     -4.446691     11.636877
  H       1.924417     -2.252110     10.967812
  H       1.544293     -1.391112      8.660646
  H       0.219062     -2.693348      7.045637
  N      -4.285290     -2.835262      5.087231
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.978719570713
  N      -2.876821     -3.588321      2.671824
  C      -2.544325     -4.493078      1.567872
  C      -2.262512     -5.904392      2.080198
  N      -3.303205     -6.309847      3.030451
  C      -4.564518     -6.722015      2.412329
  C      -5.726225     -6.484196      3.369493
  N      -5.659287     -5.148751      3.968445
  Mo     -3.895265     -4.241629      4.244928
  N      -2.637538     -5.127563      5.510690
  C      -1.991339     -6.379718      5.111482
  C      -2.835754     -7.171780      4.116647
  H      -1.822052     -7.032398      5.982386
  H      -0.990934     -6.189247      4.671763
  H      -3.720382     -7.566599      4.635161
  H      -2.255498     -8.036779      3.737727
  H      -6.661479     -6.612287      2.800210
  H      -5.734354     -7.265482      4.151459
  H      -4.706760     -6.102383      1.516212
  H      -4.543277     -7.781371      2.086930
  H      -1.659028     -4.144570      1.017630
  H      -3.370509     -4.508821      0.835588
  H      -1.307267     -5.889733      2.622125
  H      -2.163806     -6.624521      1.244618
  C       0.323980     -2.327272      3.109137
  N      -1.025191     -2.376959      3.653276
  C      -2.197552     -2.284003      2.759473
  C      -1.862700     -1.630178      1.409206
  C      -3.060064     -1.479707      0.505524
  C      -4.260332     -0.917191      0.963751
  C      -5.354063     -0.781278      0.111790
  C      -5.271380     -1.206725     -1.217055
  C      -4.082735     -1.767272     -1.686270
  C      -2.991300     -1.901866     -0.829537
  C      -7.580319     -6.707234      6.256381
  N      -6.872409     -5.447088      6.088152
  C      -6.835912     -4.773568      4.791412
  C      -8.156842     -4.921096      4.033145
  C      -9.359126     -4.264131      4.673119
  C     -10.594499     -4.353149      4.016115
  C     -11.737657     -3.775080      4.558465
  C     -11.666218     -3.088666      5.777708
  C     -10.443955     -2.988834      6.436717
  C      -9.299845     -3.570361      5.890858
  C      -3.777074     -4.725074      8.322659
  N      -2.972974     -3.783824      7.570138
  C      -2.011128     -4.357768      6.657748
  C      -0.953001     -5.158448      7.433042
  C      -0.185724     -4.305439      8.411786
  C      -0.011670     -4.731501      9.734497
  C       0.727026     -3.977859     10.644663
  C       1.307982     -2.777520     10.242078
  C       1.145986     -2.343273      8.923743
  C       0.408976     -3.099325      8.018630
  H       0.572659     -3.108836      2.365745
  H       1.015088     -2.435096      3.953111
  H       0.523395     -1.357531      2.646324
  H      -1.129077     -3.229446      4.194649
  H      -2.926682     -1.626333      3.250944
  H      -1.072583     -2.179444      0.879137
  H      -1.438242     -0.637869      1.630497
  H      -4.345977     -0.580920      1.999459
  H      -6.278514     -0.340986      0.488337
  H      -6.127915     -1.099776     -1.880806
  H      -4.004737     -2.104677     -2.721886
  H      -2.064517     -2.347291     -1.199127
  H      -7.494375     -7.011274      7.309219
  H      -8.651390     -6.570716      6.049165
  H      -7.219743     -7.552478      5.635338
  H      -5.921062     -5.501410      6.455343
  H      -6.688921     -3.701512      4.991173
  H      -8.004630     -4.489157      3.032748
  H      -8.394366     -5.983538      3.867947
  H     -10.658134     -4.889006      3.062687
  H     -12.687275     -3.862677      4.032327
  H     -12.558539     -2.638718      6.208328
  H     -10.374741     -2.457539      7.390702
  H      -8.358859     -3.515739      6.434009
  H      -3.201659     -5.142299      9.156206
  H      -4.151228     -5.572572      7.719298
  H      -4.641109     -4.191246      8.747791
  H      -3.575716     -3.112020      7.041060
  H      -1.496730     -3.492027      6.205885
  H      -0.238601     -5.610957      6.728368
  H      -1.430550     -5.991549      7.972686
  H      -0.471084     -5.667403     10.057143
  H       0.845323     -4.329122     11.671718
  H       1.881996     -2.183188     10.950721
  H       1.595915     -1.405757      8.599066
  H       0.298514     -2.742051      6.991711
  N      -4.268055     -2.834673      5.089009
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.980709799493
  N      -2.849347     -3.609153      2.690690
  C      -2.511941     -4.508251      1.584440
  C      -2.234762     -5.921135      2.094673
  N      -3.276903     -6.327062      3.044457
  C      -4.536537     -6.744864      2.425147
  C      -5.700415     -6.513325      3.382070
  N      -5.633535     -5.179674      3.983982
  Mo     -3.874575     -4.260263      4.256373
  N      -2.603764     -5.135724      5.518255
  C      -1.955440     -6.386573      5.121930
  C      -2.805460     -7.182979      4.134455
  H      -1.782592     -7.036129      5.994845
  H      -0.956358     -6.195365      4.678786
  H      -3.689858     -7.570629      4.660263
  H      -2.229675     -8.052681      3.759819
  H      -6.636014     -6.641639      2.812403
  H      -5.706523     -7.296851      4.162264
  H      -4.681584     -6.121524      1.530982
  H      -4.509115     -7.803032      2.096473
  H      -1.621821     -4.156626      1.042254
  H      -3.334762     -4.520618      0.847881
  H      -1.279428     -5.909794      2.637288
  H      -2.137998     -6.639536      1.257458
  C       0.348725     -2.322771      3.045563
  N      -0.983741     -2.380207      3.626358
  C      -2.188579     -2.295076      2.771143
  C      -1.909886     -1.618685      1.418100
  C      -3.141183     -1.485606      0.556255
  C      -4.332863     -0.942300      1.057392
  C      -5.460527     -0.825554      0.245627
  C      -5.420165     -1.249126     -1.085612
  C      -4.240266     -1.789554     -1.597714
  C      -3.115376     -1.906729     -0.780553
  C      -7.604398     -6.741764      6.218943
  N      -6.889440     -5.483993      6.080218
  C      -6.817611     -4.794195      4.793800
  C      -8.125008     -4.899823      4.006277
  C      -9.326683     -4.214058      4.619071
  C     -10.551167     -4.274095      3.936572
  C     -11.693504     -3.660050      4.446034
  C     -11.632617     -2.965525      5.656527
  C     -10.421314     -2.895820      6.342219
  C      -9.277833     -3.514247      5.829667
  C      -3.779177     -4.832301      8.311699
  N      -2.974365     -3.843130      7.597571
  C      -1.995814     -4.366001      6.673221
  C      -0.919053     -5.147476      7.433956
  C      -0.165025     -4.284629      8.415133
  C      -0.024402     -4.687371      9.749639
  C       0.701236     -3.923102     10.664844
  C       1.302828     -2.734821     10.255192
  C       1.174251     -2.323332      8.924635
  C       0.450536     -3.090752      8.013926
  H       0.582684     -3.107928      2.298688
  H       1.068037     -2.418614      3.870580
  H       0.525437     -1.352363      2.570321
  H      -1.069824     -3.223622      4.189976
  H      -2.912665     -1.657579      3.295652
  H      -1.127301     -2.145430      0.855760
  H      -1.499434     -0.619374      1.638574
  H      -4.385155     -0.607276      2.095150
  H      -6.377795     -0.400967      0.655938
  H      -6.302786     -1.156365     -1.718466
  H      -4.194728     -2.124264     -2.635813
  H      -2.195606     -2.336942     -1.183767
  H      -7.534873     -7.061348      7.265762
  H      -8.669732     -6.596171      6.000164
  H      -7.241526     -7.580464      5.591201
  H      -5.950576     -5.536845      6.472728
  H      -6.650228     -3.729057      5.012501
  H      -7.935594     -4.463294      3.013320
  H      -8.386579     -5.954017      3.825671
  H     -10.606295     -4.813809      2.988136
  H     -12.634663     -3.723937      3.898726
  H     -12.524686     -2.485596      6.060406
  H     -10.360471     -2.358042      7.288937
  H      -8.345385     -3.479097      6.390933
  H      -3.225292     -5.263691      9.156054
  H      -4.118935     -5.668556      7.667522
  H      -4.659361     -4.338028      8.732942
  H      -3.564311     -3.183192      7.071605
  H      -1.509124     -3.479532      6.236675
  H      -0.203977     -5.578486      6.717199
  H      -1.372573     -5.992435      7.971621
  H      -0.499156     -5.613710     10.077521
  H       0.794359     -4.256603     11.700912
  H       1.867785     -2.132441     10.967965
  H       1.641746     -1.395482      8.594028
  H       0.366762     -2.751506      6.976417
  N      -4.251331     -2.852422      5.098128
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.981914766032
  N      -2.807985     -3.630178      2.727644
  C      -2.450904     -4.524396      1.624638
  C      -2.188351     -5.940833      2.135013
  N      -3.244947     -6.345458      3.071368
  C      -4.496176     -6.762527      2.435730
  C      -5.669526     -6.537176      3.381241
  N      -5.605287     -5.208851      3.992963
  Mo     -3.853422     -4.282695      4.274144
  N      -2.585047     -5.145616      5.542953
  C      -1.943868     -6.404244      5.162067
  C      -2.790690     -7.199256      4.171801
  H      -1.782929     -7.049065      6.042254
  H      -0.939787     -6.223966      4.726176
  H      -3.684093     -7.571599      4.693714
  H      -2.221791     -8.078934      3.809678
  H      -6.599777     -6.661249      2.801946
  H      -5.682568     -7.326151      4.155544
  H      -4.632611     -6.132075      1.544804
  H      -4.462389     -7.818537      2.100958
  H      -1.547782     -4.170513      1.104990
  H      -3.259509     -4.531651      0.871755
  H      -1.238919     -5.936977      2.689267
  H      -2.086400     -6.656943      1.295407
  C       0.382113     -2.327834      2.982651
  N      -0.928463     -2.387117      3.614946
  C      -2.168589     -2.307701      2.810165
  C      -1.957260     -1.599799      1.464052
  C      -3.231373     -1.486058      0.664055
  C      -4.408657     -0.973135      1.227530
  C      -5.584515     -0.887225      0.475566
  C      -5.606925     -1.309834     -0.857546
  C      -4.440422     -1.816412     -1.431951
  C      -3.266652     -1.903011     -0.673625
  C      -7.660308     -6.772027      6.153393
  N      -6.928684     -5.519217      6.054066
  C      -6.805628     -4.812326      4.778443
  C      -8.088384     -4.872260      3.943276
  C      -9.303578     -4.170138      4.519626
  C     -10.507672     -4.208794      3.792233
  C     -11.662680     -3.580048      4.263192
  C     -11.636460     -2.891575      5.479147
  C     -10.446070     -2.843284      6.210806
  C      -9.289104     -3.477383      5.737316
  C      -3.799130     -4.799548      8.296917
  N      -2.968829     -3.830773      7.596871
  C      -1.981619     -4.370337      6.687318
  C      -0.895922     -5.150586      7.446440
  C      -0.117608     -4.281878      8.402556
  C      -0.007538     -4.640169      9.751233
  C       0.738567     -3.868537     10.644987
  C       1.391162     -2.716292     10.198965
  C       1.290330     -2.347083      8.854583
  C       0.546547     -3.122873      7.964857
  H       0.590781     -3.115217      2.228153
  H       1.138611     -2.417050      3.776781
  H       0.534471     -1.354482      2.494504
  H      -0.998419     -3.219624      4.203420
  H      -2.883488     -1.696374      3.379968
  H      -1.189247     -2.097596      0.856352
  H      -1.562399     -0.596006      1.689947
  H      -4.412805     -0.642064      2.267658
  H      -6.490681     -0.489296      0.935162
  H      -6.528685     -1.243538     -1.444684
  H      -4.443388     -2.149632     -2.472672
  H      -2.358875     -2.309687     -1.125560
  H      -7.626921     -7.110259      7.200793
  H      -8.721189     -6.610534      5.903010
  H      -7.287263     -7.605055      5.523137
  H      -6.002135     -5.575392      6.481778
  H      -6.620857     -3.755563      5.020311
  H      -7.846921     -4.419490      2.965479
  H      -8.367625     -5.916126      3.728054
  H     -10.535269     -4.743682      2.839433
  H     -12.587329     -3.627596      3.680586
  H     -12.539069     -2.399397      5.853048
  H     -10.413330     -2.310331      7.162946
  H      -8.373300     -3.457670      6.334383
  H      -3.248365     -5.246503      9.146216
  H      -4.161277     -5.631289      7.650682
  H      -4.678963     -4.276271      8.700997
  H      -3.555199     -3.191549      7.078247
  H      -1.494413     -3.486689      6.243460
  H      -0.191634     -5.595671      6.727600
  H      -1.348090     -5.985511      8.000584
  H      -0.520715     -5.538897     10.106689
  H       0.809391     -4.168185     11.691824
  H       1.973191     -2.109389     10.894534
  H       1.796442     -1.447150      8.495953
  H       0.480973     -2.816254      6.916530
  N      -4.241883     -2.876841      5.109131
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.983398847358
  N      -2.779320     -3.647291      2.739416
  C      -2.410260     -4.537719      1.637081
  C      -2.161077     -5.957747      2.145428
  N      -3.223077     -6.360957      3.076814
  C      -4.473143     -6.778055      2.438438
  C      -5.649259     -6.556584      3.383467
  N      -5.584007     -5.229972      3.999062
  Mo     -3.834792     -4.301058      4.277492
  N      -2.563095     -5.158626      5.546147
  C      -1.922766     -6.418265      5.169390
  C      -2.772293     -7.212449      4.180703
  H      -1.764557     -7.061792      6.050853
  H      -0.917421     -6.240623      4.735012
  H      -3.668015     -7.576239      4.704713
  H      -2.208732     -8.097211      3.823390
  H      -6.578412     -6.678778      2.801832
  H      -5.663276     -7.348504      4.155147
  H      -4.609097     -6.143961      1.549782
  H      -4.437399     -7.833032      2.100766
  H      -1.497052     -4.184396      1.134274
  H      -3.208092     -4.537857      0.872707
  H      -1.214075     -5.963320      2.703360
  H      -2.060938     -6.670360      1.303045
  C       0.408005     -2.349659      2.905375
  N      -0.879767     -2.398022      3.579730
  C      -2.148758     -2.321767      2.818966
  C      -1.991696     -1.593635      1.475588
  C      -3.295273     -1.493730      0.719895
  C      -4.461684     -1.007323      1.328985
  C      -5.664910     -0.936888      0.621966
  C      -5.726044     -1.346413     -0.711945
  C      -4.571437     -1.826230     -1.332011
  C      -3.370588     -1.899992     -0.617914
  C      -7.690623     -6.783831      6.106226
  N      -6.949212     -5.535470      6.035545
  C      -6.791376     -4.821045      4.769906
  C      -8.059403     -4.849338      3.913329
  C      -9.268605     -4.128593      4.474510
  C     -10.460405     -4.137315      3.729282
  C     -11.606883     -3.484990      4.184979
  C     -11.584498     -2.804485      5.404018
  C     -10.406596     -2.786762      6.153599
  C      -9.257905     -3.442404      5.694117
  C      -3.790919     -4.895759      8.287408
  N      -2.971741     -3.887530      7.622348
  C      -1.975268     -4.384212      6.697537
  C      -0.870120     -5.145939      7.444513
  C      -0.110365     -4.261003      8.400945
  C      -0.041307     -4.580259      9.761468
  C       0.679699     -3.785104     10.654898
  C       1.348580     -2.649425     10.196375
  C       1.289037     -2.319284      8.839716
  C       0.568983     -3.117807      7.950800
  H       0.588424     -3.144635      2.150414
  H       1.191412     -2.434947      3.674671
  H       0.547724     -1.380816      2.403739
  H      -0.936612     -3.217637      4.188038
  H      -2.847164     -1.729387      3.426297
  H      -1.238890     -2.074612      0.836227
  H      -1.605278     -0.585493      1.702862
  H      -4.434552     -0.686712      2.370937
  H      -6.561744     -0.560727      1.117423
  H      -6.667824     -1.290237     -1.264233
  H      -4.604414     -2.147400     -2.373976
  H      -2.471556     -2.285090     -1.105650
  H      -7.677326     -7.135341      7.149842
  H      -8.746350     -6.611423      5.840183
  H      -7.313378     -7.611096      5.470895
  H      -6.034831     -5.596780      6.487749
  H      -6.589279     -3.771366      5.027378
  H      -7.791608     -4.393848      2.945215
  H      -8.353742     -5.885759      3.684654
  H     -10.484409     -4.665631      2.773694
  H     -12.521806     -3.507239      3.588115
  H     -12.480461     -2.294619      5.765969
  H     -10.377179     -2.260471      7.108204
  H      -8.351622     -3.444149      6.303091
  H      -3.249363     -5.349365      9.134076
  H      -4.120473     -5.715087      7.613201
  H      -4.684202     -4.407785      8.696453
  H      -3.560633     -3.232951      7.110478
  H      -1.511744     -3.480656      6.269397
  H      -0.163001     -5.569547      6.715895
  H      -1.299096     -5.993688      7.998049
  H      -0.567787     -5.465592     10.126241
  H       0.717688     -4.052997     11.711968
  H       1.911641     -2.024590     10.891547
  H       1.808513     -1.432588      8.471463
  H       0.532213     -2.840385      6.892568
  N      -4.224037     -2.894346      5.111009
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.984519960388
  N      -2.750818     -3.660398      2.748431
  C      -2.369507     -4.548328      1.648456
  C      -2.137371     -5.971763      2.155580
  N      -3.205726     -6.370181      3.080737
  C      -4.456283     -6.780522      2.438849
  C      -5.633750     -6.561394      3.384324
  N      -5.566455     -5.238315      4.006759
  Mo     -3.817099     -4.315386      4.281247
  N      -2.549826     -5.173457      5.551266
  C      -1.912770     -6.434908      5.178999
  C      -2.763684     -7.223541      4.187029
  H      -1.761949     -7.079616      6.060686
  H      -0.904237     -6.262247      4.749861
  H      -3.663377     -7.579675      4.709252
  H      -2.205963     -8.112968      3.832755
  H      -6.561572     -6.679029      2.799297
  H      -5.650843     -7.358111      4.151589
  H      -4.589018     -6.141949      1.552938
  H      -4.424231     -7.834446      2.097109
  H      -1.444544     -4.199295      1.163631
  H      -3.153843     -4.538767      0.870025
  H      -1.193026     -5.990608      2.717103
  H      -2.040497     -6.680783      1.310328
  C       0.441165     -2.403568      2.817554
  N      -0.818705     -2.417473      3.537362
  C      -2.113479     -2.339298      2.824898
  C      -2.010728     -1.598230      1.482971
  C      -3.341566     -1.496071      0.779902
  C      -4.473118     -0.997739      1.437834
  C      -5.694944     -0.918582      0.780556
  C      -5.813055     -1.336826     -0.552021
  C      -4.696486     -1.833168     -1.220022
  C      -3.475288     -1.913418     -0.555364
  C      -7.712329     -6.785125      6.068254
  N      -6.966166     -5.539210      6.021989
  C      -6.780768     -4.822070      4.764514
  C      -8.034189     -4.835146      3.889015
  C      -9.244416     -4.109745      4.436821
  C     -10.419410     -4.094748      3.666549
  C     -11.563324     -3.430678      4.106602
  C     -11.555695     -2.765840      5.337160
  C     -10.395087     -2.773931      6.112745
  C      -9.247921     -3.437462      5.666690
  C      -3.790297     -4.984197      8.271594
  N      -2.985547     -3.939623      7.643436
  C      -1.978463     -4.397937      6.708114
  C      -0.854171     -5.139300      7.447648
  C      -0.107146     -4.235007      8.395008
  C      -0.087467     -4.501892      9.768676
  C       0.609606     -3.677855     10.654255
  C       1.305262     -2.567955     10.173920
  C       1.297264     -2.291169      8.803103
  C       0.598302     -3.117039      7.922349
  H       0.580541     -3.211480      2.068430
  H       1.246492     -2.493784      3.561365
  H       0.582880     -1.447077      2.299244
  H      -0.866417     -3.219233      4.165958
  H      -2.783139     -1.759212      3.471795
  H      -1.287697     -2.078183      0.809728
  H      -1.615680     -0.592037      1.703506
  H      -4.399382     -0.670662      2.480152
  H      -6.561742     -0.530069      1.313070
  H      -6.768237     -1.273477     -1.065868
  H      -4.774819     -2.161535     -2.261819
  H      -2.604106     -2.308836     -1.080897
  H      -7.706342     -7.148210      7.103355
  H      -8.761791     -6.605976      5.799569
  H      -7.334778     -7.604227      5.424805
  H      -6.066325     -5.609718      6.494429
  H      -6.569763     -3.776852      5.032032
  H      -7.747311     -4.374293      2.930917
  H      -8.330758     -5.867446      3.645893
  H     -10.430869     -4.610664      2.701641
  H     -12.464479     -3.430788      3.488875
  H     -12.449907     -2.247854      5.687392
  H     -10.377968     -2.260859      7.077233
  H      -8.355425     -3.457892      6.294948
  H      -3.248963     -5.454405      9.109047
  H      -4.098634     -5.787432      7.567121
  H      -4.694292     -4.525991      8.691012
  H      -3.581189     -3.277580      7.138474
  H      -1.535766     -3.477706      6.293307
  H      -0.144347     -5.549695      6.714378
  H      -1.264478     -5.993769      8.005533
  H      -0.636150     -5.366640     10.149545
  H       0.606172     -3.902579     11.723129
  H       1.850263     -1.920893     10.862964
  H       1.839414     -1.425337      8.418276
  H       0.598649     -2.881435      6.851841
  N      -4.203081     -2.904190      5.113812
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.985586731232
  N      -2.726395     -3.657336      2.766995
  C      -2.323162     -4.539485      1.670145
  C      -2.103080     -5.967471      2.171059
  N      -3.179469     -6.368706      3.084297
  C      -4.428647     -6.769533      2.435094
  C      -5.611036     -6.561102      3.378678
  N      -5.550610     -5.243679      4.014123
  Mo     -3.803550     -4.325081      4.292403
  N      -2.544155     -5.191094      5.562349
  C      -1.905954     -6.451018      5.192160
  C      -2.749550     -7.230284      4.188580
  H      -1.764604     -7.100519      6.071334
  H      -0.892900     -6.279125      4.774213
  H      -3.654175     -7.586359      4.700984
  H      -2.192594     -8.119700      3.833616
  H      -6.534001     -6.674281      2.785347
  H      -5.632239     -7.366605      4.136927
  H      -4.557371     -6.123187      1.554799
  H      -4.398703     -7.820648      2.084421
  H      -1.386866     -4.190627      1.206984
  H      -3.090075     -4.521441      0.874241
  H      -1.163203     -5.998705      2.739058
  H      -2.002887     -6.669598      1.320312
  C       0.468113     -2.437521      2.743176
  N      -0.765513     -2.412700      3.508601
  C      -2.084145     -2.337700      2.846050
  C      -2.034044     -1.577469      1.515719
  C      -3.391635     -1.500262      0.852850
  C      -4.534321     -1.074858      1.554669
  C      -5.786569     -1.039475      0.939306
  C      -5.921300     -1.419044     -0.395281
  C      -4.791694     -1.836039     -1.107237
  C      -3.542189     -1.880588     -0.483566
  C      -7.750186     -6.783451      6.019334
  N      -6.995975     -5.539413      6.003863
  C      -6.776224     -4.822246      4.753085
  C      -8.015223     -4.821904      3.858747
  C      -9.219109     -4.078606      4.390415
  C     -10.382325     -4.049004      3.611294
  C     -11.515579     -3.361759      4.036070
  C     -11.508581     -2.687935      5.259377
  C     -10.360108     -2.711236      6.043385
  C      -9.223567     -3.398411      5.613575
  C      -3.799442     -5.057499      8.263139
  N      -3.004480     -3.988411      7.669036
  C      -1.988233     -4.418446      6.727263
  C      -0.846240     -5.147094      7.459949
  C      -0.099778     -4.225723      8.389467
  C      -0.109623     -4.440399      9.770232
  C       0.578566     -3.589186     10.634372
  C       1.294046     -2.506606     10.124937
  C       1.316602     -2.282918      8.746619
  C       0.625259     -3.134995      7.886871
  H       0.568767     -3.261664      2.006186
  H       1.293855     -2.531460      3.461808
  H       0.612570     -1.494278      2.204978
  H      -0.799917     -3.200621      4.154469
  H      -2.729602     -1.774132      3.531068
  H      -1.320719     -2.040122      0.816412
  H      -1.653199     -0.565985      1.740674
  H      -4.448438     -0.786194      2.600980
  H      -6.664802     -0.716549      1.507177
  H      -6.901072     -1.390536     -0.876792
  H      -4.883303     -2.131737     -2.150546
  H      -2.662065     -2.216307     -1.043004
  H      -7.763675     -7.156920      7.049194
  H      -8.792479     -6.597554      5.734447
  H      -7.363540     -7.594353      5.372342
  H      -6.113711     -5.623651      6.502964
  H      -6.558193     -3.779768      5.027036
  H      -7.710933     -4.363610      2.906505
  H      -8.317918     -5.851227      3.612825
  H     -10.392340     -4.571260      2.651533
  H     -12.407079     -3.349621      3.411905
  H     -12.394074     -2.150714      5.596824
  H     -10.343896     -2.191572      7.001941
  H      -8.341260     -3.429867      6.248012
  H      -3.256416     -5.539337      9.087589
  H      -4.092385     -5.844357      7.539925
  H      -4.713940     -4.625287      8.687273
  H      -3.610617     -3.315662      7.173276
  H      -1.558509     -3.485466      6.323573
  H      -0.137580     -5.550403      6.721765
  H      -1.242689     -6.005044      8.023989
  H      -0.674477     -5.283808     10.172102
  H       0.550560     -3.771021     11.709369
  H       1.832103     -1.838351     10.797168
  H       1.875588     -1.439204      8.339964
  H       0.646532     -2.942652      6.808623
  N      -4.196402     -2.917227      5.125568
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.986694584283
  N      -2.701954     -3.672360      2.784022
  C      -2.285963     -4.553247      1.689996
  C      -2.069499     -5.983222      2.189675
  N      -3.149651     -6.383694      3.098737
  C      -4.396996     -6.783982      2.443532
  C      -5.584157     -6.581980      3.382962
  N      -5.528524     -5.267130      4.025418
  Mo     -3.785092     -4.344114      4.304634
  N      -2.526349     -5.206258      5.577422
  C      -1.886313     -6.466668      5.214026
  C      -2.725688     -7.246713      4.206042
  H      -1.748879     -7.115342      6.096039
  H      -0.870847     -6.295501      4.801029
  H      -3.633289     -7.601957      4.714322
  H      -2.168542     -8.137183      3.853646
  H      -6.503597     -6.693941      2.783645
  H      -5.608282     -7.391559      4.136632
  H      -4.523423     -6.133324      1.565684
  H      -4.365080     -7.833524      2.087877
  H      -1.344100     -4.203299      1.239176
  H      -3.043073     -4.533467      0.883969
  H      -1.130756     -6.018170      2.760160
  H      -1.968346     -6.684406      1.338061
  C       0.484368     -2.460361      2.657511
  N      -0.722142     -2.410878      3.470747
  C      -2.065763     -2.345507      2.858350
  C      -2.077445     -1.570725      1.534234
  C      -3.464754     -1.504172      0.936617
  C      -4.570242     -1.082639      1.693080
  C      -5.850666     -1.060366      1.139405
  C      -6.051736     -1.451754     -0.186987
  C      -4.960087     -1.865733     -0.952951
  C      -3.680336     -1.893875     -0.390725
  C      -7.787609     -6.790585      5.975048
  N      -7.021046     -5.551947      5.984887
  C      -6.763750     -4.834791      4.741006
  C      -7.982856     -4.810732      3.817573
  C      -9.188592     -4.045497      4.319733
  C     -10.332712     -3.991951      3.508091
  C     -11.464820     -3.279393      3.899662
  C     -11.476383     -2.602983      5.121245
  C     -10.347703     -2.651058      5.938483
  C      -9.211934     -3.364421      5.542573
  C      -3.799412     -5.114680      8.257843
  N      -3.006146     -4.029226      7.692240
  C      -1.983020     -4.433631      6.743965
  C      -0.819755     -5.144912      7.460335
  C      -0.076450     -4.212219      8.382877
  C      -0.110031     -4.393897      9.768107
  C       0.568655     -3.524022     10.624043
  C       1.295866     -2.455327     10.101716
  C       1.340392     -2.263744      8.719349
  C       0.659366     -3.134925      7.867415
  H       0.552076     -3.301820      1.935872
  H       1.341113     -2.544784      3.345917
  H       0.611654     -1.524873      2.091359
  H      -0.735978     -3.185086      4.139584
  H      -2.691750     -1.795799      3.574469
  H      -1.394120     -2.022492      0.800423
  H      -1.693966     -0.558109      1.748122
  H      -4.432124     -0.787549      2.734469
  H      -6.697626     -0.739353      1.749138
  H      -7.053484     -1.434224     -0.620334
  H      -5.103707     -2.171077     -1.990609
  H      -2.830038     -2.227556     -0.991768
  H      -7.837404     -7.171029      7.008340
  H      -8.824740     -6.591756      5.655622
  H      -7.385483     -7.601535      5.335068
  H      -6.150843     -5.645291      6.512922
  H      -6.537131     -3.795620      5.021089
  H      -7.646541     -4.352487      2.873518
  H      -8.296840     -5.833953      3.560296
  H     -10.327584     -4.515520      2.549484
  H     -12.340448     -3.249017      3.250004
  H     -12.360666     -2.044797      5.432630
  H     -10.346724     -2.130003      6.896328
  H      -8.345993     -3.414455      6.203325
  H      -3.258191     -5.609863      9.075754
  H      -4.082017     -5.887980      7.517049
  H      -4.722213     -4.697710      8.680960
  H      -3.617571     -3.354939      7.205302
  H      -1.574068     -3.490631      6.346805
  H      -0.115716     -5.531471      6.709039
  H      -1.193304     -6.011516      8.024922
  H      -0.684888     -5.225731     10.178856
  H       0.522720     -3.679879     11.702069
  H       1.825820     -1.771998     10.767331
  H       1.908017     -1.430690      8.303566
  H       0.694314     -2.967391      6.786138
  N      -4.183392     -2.939030      5.137319
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.987549701417
  N      -2.669334     -3.682834      2.800587
  C      -2.255760     -4.561982      1.704530
  C      -2.048688     -5.994309      2.199108
  N      -3.131944     -6.386514      3.106521
  C      -4.379637     -6.775455      2.443310
  C      -5.569063     -6.572642      3.378525
  N      -5.509384     -5.264749      4.032731
  Mo     -3.764186     -4.348360      4.314722
  N      -2.512318     -5.218475      5.587304
  C      -1.878254     -6.481993      5.226639
  C      -2.718718     -7.255697      4.213549
  H      -1.748092     -7.132291      6.109013
  H      -0.860274     -6.317307      4.816939
  H      -3.630828     -7.606921      4.716830
  H      -2.165864     -8.148563      3.860055
  H      -6.486513     -6.674523      2.774980
  H      -5.601388     -7.387628      4.125063
  H      -4.498247     -6.117664      1.569993
  H      -4.352433     -7.822409      2.079042
  H      -1.310474     -4.216498      1.258879
  H      -3.008421     -4.534561      0.894553
  H      -1.109907     -6.037353      2.768805
  H      -1.953403     -6.695055      1.346676
  C       0.501791     -2.509138      2.568409
  N      -0.668578     -2.419912      3.428483
  C      -2.030181     -2.355454      2.869469
  C      -2.097572     -1.569865      1.551227
  C      -3.506894     -1.513287      1.008910
  C      -4.583966     -1.107374      1.811575
  C      -5.886025     -1.100413      1.310303
  C      -6.136869     -1.490865     -0.008763
  C      -5.073712     -1.888525     -0.820571
  C      -3.771862     -1.901645     -0.310613
  C      -7.818445     -6.784884      5.923011
  N      -7.043655     -5.551161      5.960522
  C      -6.750396     -4.825036      4.729750
  C      -7.949638     -4.777287      3.779051
  C      -9.160691     -4.010938      4.267679
  C     -10.287235     -3.940281      3.430451
  C     -11.424771     -3.231504      3.811590
  C     -11.459547     -2.575467      5.048229
  C     -10.348078     -2.639423      5.889973
  C      -9.206956     -3.349444      5.504632
  C      -3.800457     -5.178415      8.249978
  N      -3.013651     -4.074034      7.712728
  C      -1.981950     -4.448700      6.760183
  C      -0.801771     -5.139796      7.467938
  C      -0.067762     -4.190562      8.379585
  C      -0.137665     -4.325567      9.770597
  C       0.528503     -3.433306     10.614114
  C       1.278107     -2.388540     10.073352
  C       1.356984     -2.242792      8.685466
  C       0.688434     -3.136122      7.846209
  H       0.526521     -3.366345      1.866052
  H       1.381842     -2.592750      3.224293
  H       0.620124     -1.590754      1.975474
  H      -0.660469     -3.172662      4.118625
  H      -2.632095     -1.813421      3.611416
  H      -1.439956     -2.011750      0.788777
  H      -1.713655     -0.555634      1.753388
  H      -4.407054     -0.815516      2.848644
  H      -6.710175     -0.793076      1.955858
  H      -7.155447     -1.485112     -0.400516
  H      -5.256414     -2.193410     -1.852992
  H      -2.944259     -2.224476     -0.946487
  H      -7.887624     -7.178641      6.948826
  H      -8.847537     -6.574373      5.589766
  H      -7.411799     -7.590679      5.280826
  H      -6.190878     -5.653862      6.514339
  H      -6.518119     -3.790662      5.022754
  H      -7.589203     -4.306407      2.848385
  H      -8.267941     -5.794213      3.497701
  H     -10.264275     -4.449514      2.461361
  H     -12.286773     -3.189747      3.142767
  H     -12.348147     -2.021001      5.352737
  H     -10.365666     -2.134536      6.860226
  H      -8.356660     -3.414268      6.186365
  H      -3.254937     -5.698665      9.057747
  H      -4.078727     -5.934807      7.481110
  H      -4.728200     -4.774348      8.682108
  H      -3.625593     -3.415922      7.232388
  H      -1.593874     -3.494358      6.371388
  H      -0.099031     -5.514283      6.709334
  H      -1.156159     -6.010351      8.037637
  H      -0.731505     -5.137710     10.194780
  H       0.454683     -3.552441     11.696763
  H       1.798243     -1.687723     10.728994
  H       1.941871     -1.428288      8.256242
  H       0.748917     -3.005181      6.760485
  N      -4.156372     -2.943598      5.153175
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.988246765774
  N      -2.654027     -3.686290      2.822905
  C      -2.241670     -4.558932      1.721548
  C      -2.025274     -5.992418      2.211066
  N      -3.105578     -6.389230      3.120084
  C      -4.352516     -6.776526      2.452979
  C      -5.544753     -6.584748      3.386401
  N      -5.492456     -5.281068      4.050475
  Mo     -3.750882     -4.356235      4.334440
  N      -2.497637     -5.230846      5.604736
  C      -1.859777     -6.491896      5.244551
  C      -2.692734     -7.263850      4.223814
  H      -1.731316     -7.144204      6.125762
  H      -0.840671     -6.324171      4.839245
  H      -3.605481     -7.623199      4.720176
  H      -2.134191     -8.151558      3.866403
  H      -6.460567     -6.685615      2.779497
  H      -5.576625     -7.405637      4.127241
  H      -4.471708     -6.112304      1.584107
  H      -4.322006     -7.820392      2.080218
  H      -1.300026     -4.207951      1.272500
  H      -2.997053     -4.531710      0.913131
  H      -1.083505     -6.032979      2.776977
  H      -1.930337     -6.691851      1.357346
  C       0.499258     -2.521590      2.489681
  N      -0.640321     -2.401081      3.392088
  C      -2.020136     -2.351842      2.885130
  C      -2.147319     -1.559380      1.573797
  C      -3.577109     -1.518795      1.085567
  C      -4.625272     -1.122788      1.929262
  C      -5.945515     -1.135097      1.478978
  C      -6.244412     -1.536485      0.170968
  C      -5.210455     -1.923192     -0.681685
  C      -3.889801     -1.916480     -0.222772
  C      -7.837942     -6.806594      5.881554
  N      -7.067393     -5.572361      5.944884
  C      -6.742369     -4.840023      4.727077
  C      -7.920726     -4.776524      3.749317
  C      -9.131237     -3.985474      4.203619
  C     -10.237325     -3.900382      3.339898
  C     -11.369864     -3.158896      3.680886
  C     -11.419299     -2.482316      4.902501
  C     -10.328651     -2.562001      5.771198
  C      -9.193260     -3.306424      5.426726
  C      -3.803288     -5.232854      8.256686
  N      -3.018248     -4.117080      7.745264
  C      -1.980613     -4.468205      6.788508
  C      -0.785345     -5.149235      7.487914
  C      -0.051013     -4.187213      8.384157
  C      -0.137051     -4.283818      9.777335
  C       0.532344     -3.376740     10.601293
  C       1.299028     -2.354102     10.038901
  C       1.390557     -2.244782      8.649116
  C       0.720327     -3.153699      7.829628
  H       0.494712     -3.397882      1.811148
  H       1.402715     -2.594771      3.113886
  H       0.600120     -1.618861      1.869435
  H      -0.602529     -3.136121      4.102643
  H      -2.603657     -1.820145      3.649270
  H      -1.513155     -1.991927      0.785937
  H      -1.766625     -0.541310      1.760912
  H      -4.410966     -0.825134      2.959285
  H      -6.746570     -0.836978      2.156564
  H      -7.278002     -1.547537     -0.180065
  H      -5.430982     -2.236825     -1.706099
  H      -3.084913     -2.232566     -0.889901
  H      -7.920697     -7.208646      6.897982
  H      -8.858280     -6.596022      5.536830
  H      -7.419477     -7.605385      5.239377
  H      -6.235397     -5.678348      6.524441
  H      -6.510650     -3.808388      5.029963
  H      -7.533103     -4.314885      2.824434
  H      -8.248739     -5.788924      3.465807
  H     -10.202199     -4.422832      2.380550
  H     -12.215331     -3.105879      2.990056
  H     -12.303104     -1.899509      5.174740
  H     -10.357197     -2.040799      6.729305
  H      -8.360226     -3.380888      6.127540
  H      -3.255328     -5.767170      9.050713
  H      -4.077497     -5.973049      7.474374
  H      -4.734780     -4.841306      8.693414
  H      -3.637607     -3.453105      7.274999
  H      -1.606814     -3.503072      6.408453
  H      -0.086680     -5.517406      6.722307
  H      -1.125920     -6.022595      8.063454
  H      -0.743917     -5.078653     10.217663
  H       0.449034     -3.467129     11.685341
  H       1.822162     -1.642306     10.679104
  H       1.988249     -1.447330      8.203288
  H       0.790684     -3.052958      6.741726
  N      -4.148071     -2.958304      5.180604
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.988939671142
  N      -2.632300     -3.693539      2.835089
  C      -2.232008     -4.563910      1.728100
  C      -2.005180     -5.996673      2.217311
  N      -3.081209     -6.394288      3.130754
  C      -4.327683     -6.780937      2.461727
  C      -5.522423     -6.591108      3.390721
  N      -5.473581     -5.287622      4.056497
  Mo     -3.734286     -4.358622      4.345656
  N      -2.488191     -5.240330      5.617656
  C      -1.845379     -6.499147      5.260293
  C      -2.669504     -7.271929      4.232874
  H      -1.718846     -7.151559      6.141938
  H      -0.824960     -6.328342      4.859572
  H      -3.583245     -7.638352      4.721922
  H      -2.104678     -8.154957      3.873899
  H      -6.436213     -6.691843      2.780562
  H      -5.557230     -7.412715      4.131390
  H      -4.445101     -6.114928      1.593678
  H      -4.295999     -7.823765      2.086268
  H      -1.298632     -4.210009      1.265902
  H      -2.997166     -4.539786      0.928192
  H      -1.059674     -6.032214      2.778017
  H      -1.912790     -6.698140      1.364842
  C       0.504727     -2.536752      2.411598
  N      -0.608496     -2.383942      3.347754
  C      -2.002074     -2.353823      2.887458
  C      -2.182019     -1.562628      1.581724
  C      -3.628342     -1.540319      1.140283
  C      -4.655298     -1.159986      2.018452
  C      -5.989890     -1.192271      1.613032
  C      -6.325505     -1.598093      0.316296
  C      -5.313397     -1.968184     -0.570923
  C      -3.978285     -1.942509     -0.156752
  C      -7.875767     -6.797675      5.819970
  N      -7.096990     -5.569219      5.911843
  C      -6.730234     -4.833659      4.708266
  C      -7.888071     -4.742630      3.706999
  C      -9.092590     -3.940447      4.151211
  C     -10.185334     -3.832426      3.275026
  C     -11.312389     -3.085564      3.613835
  C     -11.368861     -2.425544      4.845267
  C     -10.290951     -2.527326      5.725430
  C      -9.162078     -3.278125      5.383488
  C      -3.802437     -5.313776      8.257741
  N      -3.030993     -4.174165      7.776912
  C      -1.987449     -4.484874      6.811914
  C      -0.772487     -5.145301      7.497234
  C      -0.048737     -4.169522      8.388720
  C      -0.147595     -4.244097      9.782217
  C       0.512730     -3.321970     10.598769
  C       1.281707     -2.304438     10.028819
  C       1.384790     -2.216092      8.638574
  C       0.725166     -3.141219      7.826926
  H       0.480733     -3.436866      1.762448
  H       1.430142     -2.591274      3.006460
  H       0.584799     -1.651578      1.762000
  H      -0.541898     -3.099482      4.078853
  H      -2.569112     -1.827071      3.667399
  H      -1.566688     -1.988962      0.774187
  H      -1.807379     -0.539758      1.753551
  H      -4.413166     -0.861135      3.041197
  H      -6.773721     -0.908189      2.318046
  H      -7.370588     -1.625043      0.001148
  H      -5.562395     -2.284456     -1.587113
  H      -3.190237     -2.246357     -0.850847
  H      -7.997986     -7.202738      6.835413
  H      -8.884966     -6.578420      5.437659
  H      -7.438022     -7.598023      5.190576
  H      -6.286460     -5.682637      6.520841
  H      -6.492129     -3.806717      5.022711
  H      -7.478477     -4.275443      2.795071
  H      -8.227486     -5.746877      3.406284
  H     -10.145695     -4.343376      2.308977
  H     -12.148477     -3.017540      2.914892
  H     -12.248379     -1.839796      5.116701
  H     -10.325042     -2.020195      6.691808
  H      -8.340864     -3.373736      6.095433
  H      -3.248380     -5.866457      9.032580
  H      -4.069600     -6.031942      7.453927
  H      -4.734920     -4.945535      8.710195
  H      -3.657454     -3.504663      7.318067
  H      -1.640228     -3.507257      6.443305
  H      -0.076557     -5.495555      6.721107
  H      -1.088832     -6.027342      8.072531
  H      -0.755930     -5.034165     10.228591
  H       0.421791     -3.396513     11.682940
  H       1.798070     -1.581043     10.663480
  H       1.984238     -1.422781      8.186338
  H       0.805453     -3.058356      6.738265
  N      -4.134713     -2.965432      5.196590
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.989694868250
  N      -2.612012     -3.704194      2.840811
  C      -2.236767     -4.571639      1.723374
  C      -1.993336     -6.002063      2.211569
  N      -3.059512     -6.403358      3.135806
  C      -4.308599     -6.791708      2.470901
  C      -5.501240     -6.600444      3.401360
  N      -5.450506     -5.295678      4.063693
  Mo     -3.712127     -4.363089      4.353403
  N      -2.469673     -5.253124      5.623840
  C      -1.821609     -6.508675      5.263547
  C      -2.640982     -7.282837      4.233256
  H      -1.692495     -7.161460      6.144025
  H      -0.802103     -6.332824      4.861995
  H      -3.552917     -7.657862      4.719729
  H      -2.069759     -8.159683      3.869480
  H      -6.417365     -6.702220      2.794671
  H      -5.534992     -7.419283      4.145554
  H      -4.428655     -6.125807      1.602886
  H      -4.275842     -7.834384      2.094880
  H      -1.319238     -4.212950      1.236297
  H      -3.021950     -4.553847      0.943363
  H      -1.041897     -6.028649      2.762399
  H      -1.906552     -6.705411      1.360103
  C       0.503233     -2.545876      2.341340
  N      -0.585557     -2.369538      3.302689
  C      -1.991047     -2.359314      2.885079
  C      -2.221677     -1.567222      1.586954
  C      -3.682015     -1.559942      1.196277
  C      -4.682450     -1.196771      2.111469
  C      -6.031449     -1.248627      1.756822
  C      -6.409526     -1.656125      0.474253
  C      -5.424756     -2.007543     -0.450496
  C      -4.074831     -1.962727     -0.086865
  C      -7.896985     -6.794113      5.770146
  N      -7.112274     -5.571504      5.884984
  C      -6.710962     -4.830664      4.697012
  C      -7.847775     -4.714183      3.674543
  C      -9.047267     -3.896180      4.101986
  C     -10.126143     -3.771219      3.211172
  C     -11.248079     -3.010027      3.536014
  C     -11.312727     -2.351524      4.767628
  C     -10.248323     -2.469626      5.662244
  C      -9.125509     -3.235752      5.334388
  C      -3.791406     -5.390883      8.257161
  N      -3.033731     -4.231705      7.799279
  C      -1.983728     -4.507276      6.830697
  C      -0.755394     -5.149008      7.510233
  C      -0.050110     -4.157834      8.397914
  C      -0.169560     -4.205732      9.792032
  C       0.471423     -3.263992     10.600818
  C       1.241689     -2.252926     10.022965
  C       1.366389     -2.191940      8.631518
  C       0.726317     -3.136718      7.828718
  H       0.466839     -3.464514      1.720518
  H       1.444636     -2.580055      2.910940
  H       0.561588     -1.679169      1.666832
  H      -0.490827     -3.065416      4.048996
  H      -2.541693     -1.840405      3.680147
  H      -1.628647     -1.983566      0.758913
  H      -1.852330     -0.540802      1.746536
  H      -4.409146     -0.897893      3.124365
  H      -6.793024     -0.979073      2.491270
  H      -7.465821     -1.697798      0.199396
  H      -5.706206     -2.323922     -1.456702
  H      -3.308392     -2.252681     -0.810739
  H      -8.047427     -7.202973      6.781241
  H      -8.895593     -6.567431      5.362760
  H      -7.448939     -7.595515      5.149582
  H      -6.318984     -5.687891      6.515105
  H      -6.468459     -3.809696      5.026243
  H      -7.413304     -4.249010      2.773912
  H      -8.199804     -5.709894      3.360380
  H     -10.081131     -4.280740      2.244601
  H     -12.074235     -2.930885      2.826321
  H     -12.188480     -1.754757      5.028012
  H     -10.288349     -1.963692      6.628865
  H      -8.315437     -3.344223      6.056648
  H      -3.227934     -5.958990      9.013130
  H      -4.059793     -6.090233      7.437797
  H      -4.720587     -5.040240      8.727743
  H      -3.668524     -3.561664      7.351358
  H      -1.658742     -3.517148      6.474566
  H      -0.056291     -5.484756      6.730534
  H      -1.052970     -6.036481      8.088255
  H      -0.779932     -4.989044     10.245966
  H       0.364643     -3.317163     11.686574
  H       1.742901     -1.514498     10.652242
  H       1.966396     -1.404322      8.172102
  H       0.824332     -3.076013      6.739218
  N      -4.109958     -2.973769      5.213012
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.990548401519
  N      -2.592330     -3.711001      2.851952
  C      -2.242109     -4.576327      1.725291
  C      -1.979530     -6.002837      2.213335
  N      -3.036470     -6.411979      3.146066
  C      -4.286138     -6.805829      2.485493
  C      -5.476728     -6.611245      3.416768
  N      -5.425009     -5.302625      4.070111
  Mo     -3.689909     -4.364567      4.365196
  N      -2.456020     -5.263193      5.636958
  C      -1.798777     -6.513914      5.272832
  C      -2.609920     -7.291492      4.238679
  H      -1.666455     -7.166528      6.152550
  H      -0.780384     -6.329551      4.871841
  H      -3.519481     -7.676812      4.721785
  H      -2.029740     -8.160866      3.871159
  H      -6.395291     -6.717573      2.815126
  H      -5.508001     -7.423606      4.167968
  H      -4.409908     -6.143102      1.615970
  H      -4.249653     -7.849526      2.112704
  H      -1.343884     -4.209931      1.211984
  H      -3.048673     -4.569883      0.968556
  H      -1.024025     -6.016829      2.756591
  H      -1.894854     -6.707721      1.362567
  C       0.491082     -2.536041      2.280088
  N      -0.573963     -2.338642      3.262199
  C      -1.990814     -2.358401      2.886685
  C      -2.271862     -1.570790      1.595875
  C      -3.744446     -1.587527      1.249136
  C      -4.722789     -1.233410      2.192804
  C      -6.081746     -1.306919      1.883081
  C      -6.494554     -1.727832      0.617105
  C      -5.533517     -2.070027     -0.336684
  C      -4.173220     -2.003531     -0.017504
  C      -7.921689     -6.786681      5.713445
  N      -7.131439     -5.571664      5.852027
  C      -6.691408     -4.825315      4.682289
  C      -7.801101     -4.678431      3.635249
  C      -8.995817     -3.846925      4.047206
  C     -10.058315     -3.699804      3.140115
  C     -11.175075     -2.926150      3.453909
  C     -11.250267     -2.276343      4.689855
  C     -10.201639     -2.415172      5.600330
  C      -9.085057     -3.194822      5.283883
  C      -3.790582     -5.471175      8.255208
  N      -3.044655     -4.290630      7.824971
  C      -1.986017     -4.529430      6.856641
  C      -0.744875     -5.155776      7.528504
  C      -0.049748     -4.150653      8.407378
  C      -0.173174     -4.179812      9.801246
  C       0.459514     -3.223398     10.598187
  C       1.225613     -2.215416     10.009418
  C       1.354775     -2.173177      8.617691
  C       0.723823     -3.133266      7.827478
  H       0.450240     -3.478210      1.697231
  H       1.447670     -2.536616      2.824648
  H       0.519654     -1.694033      1.574001
  H      -0.447909     -3.011360      4.023983
  H      -2.525662     -1.848948      3.697258
  H      -1.695946     -1.977551      0.751077
  H      -1.914871     -0.537504      1.744721
  H      -4.424428     -0.921569      3.194105
  H      -6.823636     -1.042661      2.640148
  H      -7.558288     -1.784990      0.377753
  H      -5.841230     -2.395449     -1.331308
  H      -3.425695     -2.285759     -0.764910
  H      -8.097878     -7.198677      6.717435
  H      -8.907978     -6.552299      5.285015
  H      -7.467189     -7.589400      5.100693
  H      -6.355324     -5.689181      6.502874
  H      -6.444300     -3.812651      5.031378
  H      -7.336231     -4.211744      2.751487
  H      -8.164501     -5.662834      3.299509
  H     -10.006469     -4.202406      2.169849
  H     -11.989817     -2.831783      2.732735
  H     -12.122591     -1.670577      4.940990
  H     -10.249517     -1.916004      6.570421
  H      -8.287584     -3.320639      6.017810
  H      -3.218484     -6.056602      8.990617
  H      -4.064883     -6.148388      7.420349
  H      -4.714417     -5.139383      8.744514
  H      -3.687462     -3.621246      7.388876
  H      -1.682428     -3.526797      6.515512
  H      -0.045205     -5.482423      6.745613
  H      -1.023942     -6.046727      8.111212
  H      -0.780412     -4.959587     10.266153
  H       0.351281     -3.262093     11.684435
  H       1.720217     -1.466398     10.630400
  H       1.951056     -1.388799      8.147835
  H       0.827840     -3.088662      6.737437
  N      -4.091409     -2.979958      5.231405
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.991461068917
  N      -2.579066     -3.716186      2.860784
  C      -2.250016     -4.579806      1.726414
  C      -1.969738     -6.002747      2.212567
  N      -3.016780     -6.424320      3.152344
  C      -4.268541     -6.826298      2.501338
  C      -5.453557     -6.626385      3.438950
  N      -5.399183     -5.311795      4.078345
  Mo     -3.667899     -4.369950      4.377411
  N      -2.441164     -5.277087      5.648038
  C      -1.771841     -6.520360      5.275221
  C      -2.576774     -7.302081      4.239000
  H      -1.632643     -7.173872      6.152744
  H      -0.756207     -6.323263      4.873210
  H      -3.480862     -7.699686      4.722765
  H      -1.987192     -8.162982      3.866382
  H      -6.376848     -6.740140      2.846657
  H      -5.478156     -7.429672      4.199737
  H      -4.400867     -6.170330      1.628556
  H      -4.229277     -7.872460      2.135784
  H      -1.369899     -4.205270      1.189569
  H      -3.075930     -4.584810      0.992204
  H      -1.011415     -6.005643      2.749778
  H      -1.885322     -6.706062      1.360237
  C       0.467176     -2.515207      2.223077
  N      -0.575909     -2.301829      3.222129
  C      -2.002229     -2.355711      2.881876
  C      -2.325571     -1.576622      1.595635
  C      -3.805739     -1.612807      1.285764
  C      -4.763235     -1.253851      2.249325
  C      -6.129249     -1.347511      1.979255
  C      -6.571654     -1.793371      0.732338
  C      -5.632071     -2.138562     -0.242162
  C      -4.264506     -2.051580      0.038097
  C      -7.939769     -6.779777      5.668126
  N      -7.142909     -5.573330      5.827018
  C      -6.670885     -4.823181      4.673286
  C      -7.754532     -4.648868      3.605867
  C      -8.941896     -3.800191      4.002489
  C      -9.987881     -3.629052      3.080575
  C     -11.095234     -2.835796      3.381348
  C     -11.177068     -2.190224      4.618317
  C     -10.144782     -2.352395      5.543981
  C      -9.038170     -3.151821      5.240787
  C      -3.778536     -5.550823      8.255382
  N      -3.049587     -4.351414      7.850208
  C      -1.986078     -4.554960      6.879194
  C      -0.732701     -5.163861      7.540312
  C      -0.050439     -4.147703      8.416947
  C      -0.173187     -4.173941      9.810826
  C       0.442889     -3.203858     10.604620
  C       1.191622     -2.185128     10.013344
  C       1.321123     -2.146028      8.621230
  C       0.706635     -3.119853      7.834233
  H       0.427875     -3.478579      1.679212
  H       1.433798     -2.478948      2.745856
  H       0.465487     -1.701500      1.485394
  H      -0.421020     -2.952265      3.996307
  H      -2.520354     -1.855153      3.707731
  H      -1.766374     -1.979652      0.738474
  H      -1.978383     -0.538614      1.733917
  H      -4.443972     -0.922159      3.236935
  H      -6.853699     -1.079972      2.752444
  H      -7.641489     -1.867305      0.524155
  H      -5.962260     -2.482607     -1.223152
  H      -3.534969     -2.337023     -0.725809
  H      -8.141278     -7.191594      6.666456
  H      -8.913991     -6.536789      5.219362
  H      -7.481518     -7.585905      5.063341
  H      -6.380240     -5.693078      6.491874
  H      -6.417023     -3.819101      5.040694
  H      -7.260273     -4.183789      2.738066
  H      -8.127869     -5.622614      3.251670
  H      -9.931638     -4.127574      2.108822
  H     -11.898103     -2.722797      2.649220
  H     -12.042672     -1.569663      4.857918
  H     -10.197819     -1.856614      6.514988
  H      -8.253229     -3.296438      5.985489
  H      -3.189377     -6.154582      8.963143
  H      -4.068473     -6.203791      7.405515
  H      -4.693373     -5.237179      8.773945
  H      -3.702976     -3.682481      7.431301
  H      -1.703909     -3.541408      6.554960
  H      -0.031083     -5.477336      6.754109
  H      -0.990596     -6.060309      8.123421
  H      -0.767897     -4.960665     10.280308
  H       0.335244     -3.239444     11.691411
  H       1.671975     -1.425647     10.632927
  H       1.902958     -1.353543      8.147416
  H       0.811122     -3.077164      6.743690
  N      -4.073033     -2.990261      5.249592
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.992398510763
  N      -2.570129     -3.716049      2.871461
  C      -2.258082     -4.581152      1.732140
  C      -1.959240     -6.000083      2.216586
  N      -2.996406     -6.436347      3.160992
  C      -4.250540     -6.848413      2.522500
  C      -5.427865     -6.640341      3.469045
  N      -5.371304     -5.318405      4.091934
  Mo     -3.644221     -4.374972      4.395189
  N      -2.424521     -5.290662      5.663534
  C      -1.741115     -6.524641      5.279771
  C      -2.539745     -7.311268      4.241741
  H      -1.593484     -7.180195      6.154346
  H      -0.729294     -6.312085      4.876980
  H      -3.435325     -7.724412      4.728274
  H      -1.939399     -8.162411      3.863155
  H      -6.356360     -6.763137      2.887709
  H      -5.443636     -7.433130      4.240186
  H      -4.394092     -6.203131      1.644399
  H      -4.210095     -7.898470      2.168156
  H      -1.394565     -4.200245      1.173052
  H      -3.101507     -4.598174      1.018345
  H      -0.999216     -5.992336      2.750378
  H      -1.871564     -6.700090      1.361730
  C       0.434105     -2.479221      2.171963
  N      -0.591893     -2.249689      3.184622
  C      -2.024887     -2.345163      2.871787
  C      -2.386902     -1.580196      1.586461
  C      -3.872745     -1.634030      1.311180
  C      -4.807337     -1.250408      2.286968
  C      -6.178596     -1.359458      2.054723
  C      -6.649901     -1.847193      0.832900
  C      -5.733588     -2.216552     -0.154355
  C      -4.360114     -2.111368      0.088168
  C      -7.954217     -6.767687      5.634988
  N      -7.149379     -5.570033      5.809411
  C      -6.649943     -4.819352      4.668061
  C      -7.706993     -4.623771      3.579376
  C      -8.889275     -3.757018      3.955139
  C      -9.914315     -3.565416      3.013237
  C     -11.014801     -2.754816      3.296240
  C     -11.110931     -2.112962      4.535083
  C     -10.099027     -2.293832      5.480374
  C      -8.998911     -3.109250      5.194593
  C      -3.777646     -5.629374      8.249108
  N      -3.058742     -4.411608      7.875513
  C      -1.986671     -4.581635      6.907463
  C      -0.723633     -5.178150      7.562974
  C      -0.047357     -4.153484      8.435255
  C      -0.159072     -4.181163      9.830267
  C       0.451763     -3.202454     10.616417
  C       1.182891     -2.174815     10.016874
  C       1.300313     -2.133976      8.623836
  C       0.691107     -3.115960      7.844015
  H       0.406431     -3.465753      1.672146
  H       1.408191     -2.397312      2.675654
  H       0.399025     -1.699561      1.397735
  H      -0.411163     -2.877215      3.972298
  H      -2.528877     -1.850973      3.710873
  H      -1.844150     -1.986790      0.720675
  H      -2.047741     -0.537673      1.709907
  H      -4.465850     -0.884565      3.255930
  H      -6.884269     -1.071716      2.837237
  H      -7.723866     -1.934386      0.654574
  H      -6.085769     -2.591578     -1.116922
  H      -3.649434     -2.414470     -0.685982
  H      -8.181143     -7.174866      6.628885
  H      -8.915766     -6.515192      5.166222
  H      -7.494291     -7.580242      5.040441
  H      -6.396991     -5.695317      6.485570
  H      -6.388786     -3.822256      5.048972
  H      -7.183603     -4.161719      2.726976
  H      -8.085039     -5.589644      3.209129
  H      -9.847278     -4.061267      2.039973
  H     -11.802113     -2.625429      2.549487
  H     -11.972191     -1.480293      4.759965
  H     -10.163644     -1.800649      6.453199
  H      -8.230292     -3.268620      5.953384
  H      -3.175960     -6.250661      8.930196
  H      -4.080226     -6.255332      7.385576
  H      -4.687420     -5.340443      8.788302
  H      -3.720368     -3.741799      7.473308
  H      -1.720070     -3.557267      6.602595
  H      -0.017860     -5.481506      6.776321
  H      -0.966224     -6.080005      8.146369
  H      -0.739354     -4.975010     10.307895
  H       0.354012     -3.238508     11.703960
  H       1.657975     -1.409608     10.631124
  H       1.867126     -1.334916      8.142021
  H       0.786181     -3.072057      6.752736
  N      -4.054783     -2.999218      5.271587
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.993336677241
  N      -2.567393     -3.714314      2.879008
  C      -2.265274     -4.581450      1.737787
  C      -1.952833     -5.998044      2.219242
  N      -2.982012     -6.446256      3.165787
  C      -4.238008     -6.866050      2.539450
  C      -5.407798     -6.652155      3.494874
  N      -5.350548     -5.324789      4.105805
  Mo     -3.625900     -4.382359      4.411278
  N      -2.408560     -5.305280      5.674553
  C      -1.713995     -6.529430      5.279842
  C      -2.510019     -7.318907      4.241698
  H      -1.556821     -7.188525      6.150242
  H      -0.706278     -6.302721      4.875337
  H      -3.396729     -7.745452      4.732505
  H      -1.901834     -8.161912      3.857114
  H      -6.340519     -6.782135      2.922200
  H      -5.414631     -7.438412      4.272631
  H      -4.391859     -6.230239      1.656583
  H      -4.198373     -7.919311      2.195082
  H      -1.410676     -4.198571      1.164742
  H      -3.119442     -4.603961      1.036075
  H      -0.991526     -5.984633      2.751464
  H      -1.860597     -6.693551      1.361349
  C       0.399689     -2.451232      2.123091
  N      -0.612141     -2.204823      3.147402
  C      -2.048133     -2.335045      2.854237
  C      -2.440495     -1.585437      1.568462
  C      -3.930310     -1.653825      1.318677
  C      -4.848747     -1.243330      2.298470
  C      -6.222586     -1.361170      2.092070
  C      -6.712077     -1.887796      0.892881
  C      -5.812300     -2.286571     -0.097564
  C      -4.435756     -2.169604      0.118201
  C      -7.964388     -6.759449      5.612921
  N      -7.152699     -5.568390      5.800542
  C      -6.634734     -4.818808      4.667141
  C      -7.675224     -4.611595      3.565766
  C      -8.847401     -3.725495      3.926761
  C      -9.854966     -3.512309      2.971400
  C     -10.940130     -2.675361      3.237672
  C     -11.038113     -2.028852      4.472548
  C     -10.043926     -2.232383      5.431927
  C      -8.958788     -3.073514      5.163137
  C      -3.754545     -5.704628      8.250170
  N      -3.057181     -4.471584      7.902523
  C      -1.984902     -4.606636      6.927516
  C      -0.709155     -5.185364      7.571739
  C      -0.046027     -4.155736      8.451646
  C      -0.145333     -4.201860      9.846941
  C       0.450053     -3.216794     10.639643
  C       1.151185     -2.165355     10.045964
  C       1.255676     -2.106248      8.652989
  C       0.662680     -3.094684      7.865784
  H       0.384419     -3.456152      1.659676
  H       1.379666     -2.331006      2.607673
  H       0.335893     -1.702861      1.320068
  H      -0.411627     -2.811232      3.947214
  H      -2.543654     -1.843216      3.700908
  H      -1.909259     -1.998946      0.698309
  H      -2.107809     -0.539122      1.677463
  H      -4.490479     -0.845271      3.249722
  H      -6.915930     -1.050948      2.876383
  H      -7.787782     -1.983511      0.735480
  H      -6.179343     -2.692408     -1.042677
  H      -3.737624     -2.492934     -0.658707
  H      -8.214000     -7.161694      6.603382
  H      -8.914668     -6.498533      5.125990
  H      -7.501488     -7.577272      5.027517
  H      -6.409063     -5.702709      6.484504
  H      -6.366136     -3.825946      5.054305
  H      -7.135343     -4.155368      2.721040
  H      -8.058127     -5.573653      3.191184
  H      -9.784878     -4.010570      2.000602
  H     -11.713568     -2.526970      2.480365
  H     -11.887377     -1.375255      4.683396
  H     -10.110685     -1.735927      6.401644
  H      -8.204059     -3.249442      5.932053
  H      -3.128608     -6.342682      8.894985
  H      -4.072221     -6.302979      7.370155
  H      -4.656458     -5.442271      8.822604
  H      -3.728896     -3.801688      7.520870
  H      -1.738604     -3.574071      6.640688
  H      -0.001046     -5.468485      6.779595
  H      -0.930600     -6.096629      8.147536
  H      -0.702310     -5.014381     10.319881
  H       0.362189     -3.267090     11.726925
  H       1.612792     -1.394746     10.665668
  H       1.798699     -1.288426      8.175229
  H       0.746311     -3.035959      6.774643
  N      -4.039905     -3.011317      5.290980
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.994284712888
  N      -2.563543     -3.706207      2.891051
  C      -2.266910     -4.577097      1.749765
  C      -1.942520     -5.992120      2.227494
  N      -2.965240     -6.450504      3.174946
  C      -4.223728     -6.877214      2.560965
  C      -5.386369     -6.656699      3.524816
  N      -5.329972     -5.323504      4.125258
  Mo     -3.604915     -4.387824      4.433203
  N      -2.387510     -5.317905      5.690360
  C      -1.683988     -6.532158      5.285643
  C      -2.478638     -7.322545      4.247051
  H      -1.517422     -7.196850      6.150683
  H      -0.680068     -6.292950      4.879937
  H      -3.356145     -7.762552      4.741912
  H      -1.864055     -8.158083      3.855710
  H      -6.322864     -6.794247      2.959543
  H      -5.383637     -7.438187      4.307824
  H      -4.386976     -6.251928      1.671903
  H      -4.187482     -7.934206      2.227782
  H      -1.416248     -4.196767      1.166354
  H      -3.128303     -4.600847      1.054857
  H      -0.980162     -5.975007      2.759626
  H      -1.842650     -6.682602      1.366546
  C       0.360295     -2.418893      2.080182
  N      -0.640526     -2.149205      3.112960
  C      -2.075454     -2.315833      2.834915
  C      -2.498781     -1.585317      1.548263
  C      -3.991142     -1.669860      1.324563
  C      -4.895086     -1.228322      2.303686
  C      -6.271350     -1.356369      2.119499
  C      -6.774197     -1.926598      0.944970
  C      -5.888012     -2.359600     -0.042731
  C      -4.509476     -2.230804      0.149398
  C      -7.976230     -6.743036      5.591250
  N      -7.155166     -5.558885      5.795441
  C      -6.619804     -4.810395      4.669030
  C      -7.646372     -4.596240      3.554444
  C      -8.813164     -3.696140      3.898217
  C      -9.798712     -3.468704      2.924188
  C     -10.872565     -2.611418      3.168665
  C     -10.982145     -1.960067      4.401106
  C     -10.010701     -2.179886      5.379602
  C      -8.935433     -3.039645      5.132043
  C      -3.746852     -5.781708      8.238064
  N      -3.059699     -4.532520      7.928906
  C      -1.981354     -4.632294      6.954415
  C      -0.695556     -5.198906      7.596285
  C      -0.038884     -4.164832      8.476255
  C      -0.123230     -4.220556      9.872311
  C       0.470281     -3.231759     10.662261
  C       1.152650     -2.168952     10.063663
  C       1.240467     -2.100551      8.670337
  C       0.649385     -3.091868      7.885320
  H       0.362845     -3.443268      1.658710
  H       1.346010     -2.255189      2.542062
  H       0.263857     -1.708603      1.245387
  H      -0.423711     -2.729939      3.928345
  H      -2.570485     -1.824507      3.684336
  H      -1.978284     -2.006675      0.674786
  H      -2.173499     -0.536060      1.640110
  H      -4.520959     -0.796754      3.234715
  H      -6.956692     -1.024024      2.901639
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  H      -6.267625     -2.803205     -0.967165
  H      -3.821120     -2.579231     -0.624627
  H      -8.253960     -7.141346      6.577472
  H      -8.912983     -6.470222      5.081899
  H      -7.507960     -7.565941      5.016325
  H      -6.421159     -5.709974      6.487614
  H      -6.343704     -3.819622      5.057847
  H      -7.094838     -4.140797      2.715786
  H      -8.029469     -5.557610      3.176191
  H      -9.716646     -3.970384      1.955546
  H     -11.627323     -2.448909      2.395975
  H     -11.822410     -1.290225      4.595539
  H     -10.087852     -1.679971      6.347729
  H      -8.198992     -3.225428      5.915100
  H      -3.106233     -6.435921      8.850076
  H      -4.066335     -6.348784      7.339981
  H      -4.648657     -5.554892      8.825718
  H      -3.736225     -3.858150      7.562695
  H      -1.750031     -3.591012      6.687287
  H       0.016210     -5.469782      6.802493
  H      -0.906368     -6.115198      8.168520
  H      -0.664680     -5.043663     10.346521
  H       0.394410     -3.289973     11.749835
  H       1.612836     -1.395630     10.680645
  H       1.769063     -1.273769      8.189828
  H       0.719228     -3.027314      6.794075
  N      -4.021962     -3.020261      5.315561
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.995062782845
  N      -2.562676     -3.699263      2.895155
  C      -2.276743     -4.573990      1.753738
  C      -1.941074     -5.986487      2.229296
  N      -2.954866     -6.449678      3.183252
  C      -4.216753     -6.880034      2.580338
  C      -5.373504     -6.654417      3.550244
  N      -5.316591     -5.317091      4.142653
  Mo     -3.587230     -4.389234      4.448978
  N      -2.366203     -5.325780      5.700189
  C      -1.659669     -6.533743      5.287269
  C      -2.456812     -7.323002      4.250209
  H      -1.484720     -7.203140      6.147187
  H      -0.658776     -6.288128      4.877518
  H      -3.328482     -7.770785      4.748188
  H      -1.840408     -8.153571      3.851347
  H      -6.313378     -6.797136      2.991680
  H      -5.363175     -7.432293      4.337228
  H      -4.385788     -6.261888      1.687003
  H      -4.183994     -7.939471      2.255031
  H      -1.432547     -4.197319      1.158356
  H      -3.145962     -4.599375      1.068160
  H      -0.975192     -5.964452      2.755600
  H      -1.839611     -6.675785      1.367832
  C       0.330110     -2.392539      2.048053
  N      -0.667841     -2.104533      3.080701
  C      -2.100219     -2.299810      2.811819
  C      -2.544257     -1.590072      1.520752
  C      -4.037645     -1.689508      1.308061
  C      -4.939373     -1.224635      2.278393
  C      -6.316124     -1.358280      2.098838
  C      -6.819129     -1.958585      0.939735
  C      -5.934591     -2.418357     -0.037229
  C      -4.555844     -2.283296      0.149044
  C      -7.981568     -6.721125      5.589890
  N      -7.151819     -5.543288      5.800951
  C      -6.606881     -4.797933      4.676808
  C      -7.628194     -4.583931      3.556530
  C      -8.789543     -3.672637      3.887844
  C      -9.761157     -3.437805      2.902205
  C     -10.823859     -2.563322      3.129626
  C     -10.936622     -1.902249      4.356782
  C      -9.980335     -2.131611      5.346970
  C      -8.915582     -3.008299      5.116284
  C      -3.717068     -5.849770      8.235863
  N      -3.047400     -4.587260      7.953704
  C      -1.969814     -4.654001      6.973360
  C      -0.673711     -5.209416      7.607519
  C      -0.031694     -4.175543      8.500663
  C      -0.097031     -4.257182      9.896244
  C       0.484649     -3.268475     10.697760
  C       1.134485     -2.179656     10.110496
  C       1.202371     -2.085461      8.717969
  C       0.624269     -3.076716      7.921584
  H       0.352190     -3.433013      1.665427
  H       1.320108     -2.188765      2.487702
  H       0.204083     -1.716743      1.188289
  H      -0.441044     -2.663104      3.909734
  H      -2.603209     -1.805898      3.655496
  H      -2.025580     -2.015600      0.647710
  H      -2.228146     -0.536814      1.598953
  H      -4.560684     -0.767874      3.195980
  H      -7.002043     -1.007906      2.872445
  H      -7.896215     -2.069883      0.807425
  H      -6.315023     -2.885628     -0.948417
  H      -3.866974     -2.649274     -0.616759
  H      -8.273801     -7.115267      6.573034
  H      -8.909432     -6.439667      5.070312
  H      -7.512869     -7.548446      5.021992
  H      -6.422606     -5.708546      6.494882
  H      -6.328034     -3.806699      5.062832
  H      -7.073874     -4.133252      2.717131
  H      -8.014513     -5.545659      3.182989
  H      -9.674032     -3.946860      1.938171
  H     -11.566294     -2.393923      2.347495
  H     -11.767262     -1.217882      4.538896
  H     -10.061078     -1.624693      6.311126
  H      -8.190913     -3.199067      5.908484
  H      -3.056478     -6.516359      8.813047
  H      -4.042450     -6.391672      7.322928
  H      -4.611495     -5.651137      8.846636
  H      -3.730086     -3.911591      7.601340
  H      -1.756518     -3.605908      6.723012
  H       0.038476     -5.460656      6.807624
  H      -0.871133     -6.134914      8.169555
  H      -0.613515     -5.101135     10.359509
  H       0.424292     -3.348234     11.784478
  H       1.585678     -1.405845     10.735743
  H       1.705899     -1.237953      8.247353
  H       0.678072     -2.992662      6.831298
  N      -4.001905     -3.024117      5.335039
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.995774849008
  N      -2.556397     -3.690756      2.898382
  C      -2.277949     -4.569486      1.758286
  C      -1.934988     -5.979772      2.233312
  N      -2.941029     -6.445721      3.194158
  C      -4.206243     -6.878105      2.599709
  C      -5.359097     -6.646828      3.572687
  N      -5.301100     -5.305720      4.157602
  Mo     -3.564072     -4.390841      4.462524
  N      -2.340568     -5.332077      5.710712
  C      -1.634012     -6.536556      5.291642
  C      -2.434505     -7.322562      4.255282
  H      -1.453240     -7.210914      6.146620
  H      -0.634809     -6.288826      4.878592
  H      -3.303417     -7.774090      4.754610
  H      -1.819375     -8.150201      3.848740
  H      -6.301142     -6.793565      3.019286
  H      -5.343549     -7.421078      4.363340
  H      -4.377719     -6.266029      1.702510
  H      -4.176580     -7.939766      2.281756
  H      -1.437362     -4.196422      1.155034
  H      -3.151495     -4.596413      1.078597
  H      -0.965897     -5.953193      2.753622
  H      -1.833351     -6.669645      1.372337
  C       0.296826     -2.370167      2.017865
  N      -0.697031     -2.057755      3.045202
  C      -2.125004     -2.282213      2.788009
  C      -2.592769     -1.596475      1.493232
  C      -4.086229     -1.709670      1.298997
  C      -4.981137     -1.224419      2.264969
  C      -6.358460     -1.362276      2.096302
  C      -6.867487     -1.989252      0.955188
  C      -5.989325     -2.473355     -0.015013
  C      -4.609782     -2.332720      0.158973
  C      -7.988394     -6.688844      5.589109
  N      -7.146522     -5.519560      5.806041
  C      -6.590732     -4.779732      4.682295
  C      -7.607453     -4.571380      3.556541
  C      -8.766381     -3.652650      3.873940
  C      -9.724514     -3.414325      2.876146
  C     -10.776573     -2.523517      3.083798
  C     -10.893197     -1.850200      4.303781
  C      -9.953714     -2.087605      5.307545
  C      -8.898766     -2.980481      5.096172
  C      -3.692756     -5.925030      8.221947
  N      -3.036781     -4.646278      7.974638
  C      -1.955965     -4.676479      6.993624
  C      -0.651935     -5.220243      7.624084
  C      -0.026052     -4.185018      8.524659
  C      -0.080725     -4.282566      9.919851
  C       0.490924     -3.294248     10.728593
  C       1.121134     -2.189722     10.148537
  C       1.178553     -2.079667      8.756043
  C       0.609731     -3.069982      7.953352
  H       0.336222     -3.425494      1.681960
  H       1.287163     -2.126458      2.430030
  H       0.142344     -1.738524      1.132978
  H      -0.463727     -2.586704      3.889759
  H      -2.636932     -1.786812      3.624734
  H      -2.081060     -2.023702      0.617638
  H      -2.285824     -0.540184      1.557497
  H      -4.594294     -0.748045      3.167852
  H      -7.041233     -0.997074      2.865301
  H      -7.945621     -2.105661      0.834276
  H      -6.375924     -2.964707     -0.910418
  H      -3.924416     -2.715394     -0.601395
  H      -8.297450     -7.077434      6.570714
  H      -8.907248     -6.396863      5.057256
  H      -7.519730     -7.522656      5.029794
  H      -6.419410     -5.701695      6.498665
  H      -6.312636     -3.786554      5.063833
  H      -7.051811     -4.127161      2.714770
  H      -7.995991     -5.534555      3.190245
  H      -9.631580     -3.932553      1.918081
  H     -11.505735     -2.349291      2.290507
  H     -11.713802     -1.150575      4.471341
  H     -10.038995     -1.572365      6.266351
  H      -8.186153     -3.174025      5.898821
  H      -3.017700     -6.602863      8.766977
  H      -4.018559     -6.440813      7.294602
  H      -4.581468     -5.757402      8.847101
  H      -3.724877     -3.970331      7.631565
  H      -1.761631     -3.621035      6.760839
  H       0.061825     -5.457906      6.821490
  H      -0.840540     -6.149958      8.180501
  H      -0.582214     -5.139989     10.375485
  H       0.438449     -3.387573     11.815217
  H       1.566215     -1.416298     10.778417
  H       1.668046     -1.219606      8.292556
  H       0.655896     -2.975324      6.863255
  N      -3.975166     -3.026024      5.350200
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.996233615964
  N      -2.562824     -3.677132      2.890196
  C      -2.293522     -4.564079      1.754034
  C      -1.942951     -5.970858      2.232904
  N      -2.938120     -6.436866      3.206055
  C      -4.210702     -6.869514      2.624167
  C      -5.357199     -6.629115      3.603680
  N      -5.293413     -5.282736      4.177295
  Mo     -3.542196     -4.387621      4.471629
  N      -2.312253     -5.332200      5.716144
  C      -1.609987     -6.536488      5.289597
  C      -2.420269     -7.318432      4.258197
  H      -1.422383     -7.214634      6.139945
  H      -0.613164     -6.290413      4.869066
  H      -3.286423     -7.770199      4.762760
  H      -1.810841     -8.144844      3.841281
  H      -6.303372     -6.779181      3.058726
  H      -5.335975     -7.397538      4.400066
  H      -4.386050     -6.263962      1.723239
  H      -4.185756     -7.933603      2.314437
  H      -1.458414     -4.195152      1.140158
  H      -3.172572     -4.596791      1.082278
  H      -0.969048     -5.938072      2.743511
  H      -1.845920     -6.664505      1.374469
  C       0.269373     -2.328868      2.025775
  N      -0.743387     -2.009538      3.030468
  C      -2.162803     -2.260732      2.753719
  C      -2.615202     -1.604092      1.439103
  C      -4.102799     -1.721340      1.212194
  C      -5.021426     -1.203055      2.138503
  C      -6.393438     -1.327281      1.927095
  C      -6.872202     -1.972988      0.784122
  C      -5.969883     -2.493693     -0.144302
  C      -4.596020     -2.366315      0.071591
  C      -7.972408     -6.641987      5.655196
  N      -7.115775     -5.479526      5.850733
  C      -6.575592     -4.752037      4.709422
  C      -7.607616     -4.565701      3.593880
  C      -8.769889     -3.649675      3.907509
  C      -9.732323     -3.428820      2.910018
  C     -10.783245     -2.536267      3.107718
  C     -10.896722     -1.845262      4.318882
  C      -9.957122     -2.069403      5.324246
  C      -8.901998     -2.963451      5.121794
  C      -3.658664     -5.976373      8.220411
  N      -3.014132     -4.687708      7.990463
  C      -1.931870     -4.694793      7.008224
  C      -0.626334     -5.239287      7.635049
  C      -0.016862     -4.215460      8.559252
  C      -0.045135     -4.356898      9.952259
  C       0.514958     -3.381015     10.783672
  C       1.107543     -2.243848     10.229504
  C       1.138164     -2.089435      8.839383
  C       0.581813     -3.067514      8.014928
  H       0.337868     -3.395067      1.731242
  H       1.252757     -2.041381      2.427304
  H       0.097763     -1.735347      1.117099
  H      -0.525770     -2.522682      3.888711
  H      -2.701188     -1.758942      3.569063
  H      -2.084832     -2.036102      0.577021
  H      -2.315494     -0.544849      1.497381
  H      -4.655572     -0.708095      3.040560
  H      -7.096784     -0.935015      2.663937
  H      -7.946228     -2.075641      0.630483
  H      -6.333355     -3.001246     -1.039566
  H      -3.889973     -2.772207     -0.657754
  H      -8.266803     -7.021758      6.642284
  H      -8.895625     -6.344423      5.139920
  H      -7.521640     -7.483129      5.093969
  H      -6.371253     -5.676302      6.519447
  H      -6.299436     -3.751816      5.074270
  H      -7.066118     -4.131291      2.737909
  H      -7.996640     -5.536001      3.247123
  H      -9.640534     -3.961621      1.959544
  H     -11.512705     -2.374324      2.312797
  H     -11.714800     -1.141971      4.479659
  H     -10.041660     -1.541585      6.276846
  H      -8.188032     -3.143561      5.925748
  H      -2.970311     -6.660364      8.740715
  H      -3.991365     -6.477875      7.287295
  H      -4.537587     -5.826424      8.861487
  H      -3.707148     -4.014583      7.651757
  H      -1.748106     -3.634226      6.790575
  H       0.090211     -5.459315      6.830036
  H      -0.813036     -6.178576      8.176023
  H      -0.517790     -5.240600     10.386976
  H       0.483596     -3.509778     11.867971
  H       1.544351     -1.479675     10.876125
  H       1.598280     -1.203190      8.397545
  H       0.606853     -2.938832      6.927641
  N      -3.941523     -3.019911      5.358765
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.996717438589
  N      -2.542039     -3.678758      2.890199
  C      -2.284506     -4.565793      1.752469
  C      -1.929215     -5.970077      2.235120
  N      -2.919113     -6.430441      3.216703
  C      -4.194498     -6.858613      2.632184
  C      -5.343084     -6.617017      3.607419
  N      -5.275564     -5.271033      4.181504
  Mo     -3.516424     -4.384429      4.475167
  N      -2.286235     -5.332365      5.718422
  C      -1.590622     -6.542278      5.294698
  C      -2.403821     -7.319898      4.262630
  H      -1.405711     -7.219762      6.146003
  H      -0.592355     -6.304034      4.872307
  H      -3.274549     -7.767234      4.764140
  H      -1.799524     -8.147374      3.840933
  H      -6.288494     -6.764099      3.060518
  H      -5.327308     -7.384773      4.404919
  H      -4.364750     -6.249445      1.732570
  H      -4.169431     -7.921764      2.319138
  H      -1.457046     -4.195117      1.131195
  H      -3.168347     -4.603905      1.087783
  H      -0.951623     -5.931642      2.737673
  H      -1.840371     -6.670691      1.381259
  C       0.257564     -2.314265      1.984752
  N      -0.752320     -1.975239      2.985154
  C      -2.169139     -2.254966      2.739977
  C      -2.663275     -1.623751      1.427617
  C      -4.155796     -1.763792      1.246173
  C      -5.054475     -1.247852      2.193363
  C      -6.432802     -1.389874      2.024404
  C      -6.940109     -2.049263      0.902899
  C      -6.058525     -2.567951     -0.046339
  C      -4.678556     -2.425365      0.128565
  C      -7.985577     -6.608098      5.620537
  N      -7.121667     -5.453989      5.830135
  C      -6.555433     -4.728614      4.698387
  C      -7.569401     -4.525962      3.567236
  C      -8.731499     -3.604284      3.866042
  C      -9.681093     -3.377554      2.856104
  C     -10.733873     -2.486075      3.044305
  C     -10.862197     -1.800828      4.258061
  C      -9.936252     -2.029444      5.274486
  C      -8.880169     -2.924005      5.081567
  C      -3.635456     -6.035236      8.204446
  N      -3.000789     -4.736500      8.001538
  C      -1.916603     -4.712372      7.020509
  C      -0.604344     -5.246371      7.642585
  C      -0.011533     -4.219338      8.572637
  C      -0.051082     -4.356510      9.966384
  C       0.492508     -3.375044     10.801272
  C       1.080945     -2.234614     10.251580
  C       1.124099     -2.084111      8.860103
  C       0.585273     -3.068556      8.033341
  H       0.347878     -3.393076      1.742372
  H       1.241393     -1.983378      2.353137
  H       0.056171     -1.765473      1.053250
  H      -0.520208     -2.452430      3.861123
  H      -2.707022     -1.753633      3.555166
  H      -2.151784     -2.053292      0.554066
  H      -2.377829     -0.558520      1.465819
  H      -4.668071     -0.739611      3.078885
  H      -7.117713     -0.995942      2.777188
  H      -8.017355     -2.158144      0.779647
  H      -6.443010     -3.083263     -0.926303
  H      -3.989278     -2.828564     -0.618112
  H      -8.291356     -6.990708      6.601858
  H      -8.900722     -6.302681      5.098753
  H      -7.536537     -7.450595      5.061549
  H      -6.387238     -5.658976      6.506875
  H      -6.280537     -3.730698      5.070794
  H      -7.009995     -4.095435      2.720353
  H      -7.966786     -5.489457      3.209976
  H      -9.579391     -3.906947      1.903884
  H     -11.453548     -2.323488      2.240686
  H     -11.681014     -1.097632      4.412191
  H     -10.032542     -1.506606      6.229351
  H      -8.177766     -3.108484      5.894259
  H      -2.941545     -6.729135      8.703071
  H      -3.972837     -6.517758      7.263082
  H      -4.506760     -5.901401      8.857584
  H      -3.701206     -4.066139      7.671489
  H      -1.753088     -3.644838      6.816155
  H       0.112633     -5.453600      6.834754
  H      -0.782173     -6.191114      8.179845
  H      -0.521419     -5.241732     10.399220
  H       0.452866     -3.500380     11.886416
  H       1.505190     -1.465990     10.901064
  H       1.581292     -1.195666      8.421886
  H       0.622017     -2.944677      6.945093
  N      -3.908484     -3.014173      5.363363
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.997158845948
  N      -2.541015     -3.668475      2.882480
  C      -2.287790     -4.562163      1.748743
  C      -1.930392     -5.963848      2.236754
  N      -2.914733     -6.422036      3.224332
  C      -4.194020     -6.847900      2.646926
  C      -5.336138     -6.598923      3.627524
  N      -5.262348     -5.250136      4.194323
  Mo     -3.495786     -4.376084      4.480515
  N      -2.268058     -5.328226      5.722333
  C      -1.576751     -6.541136      5.295620
  C      -2.395361     -7.315107      4.264512
  H      -1.392871     -7.219235      6.146481
  H      -0.578787     -6.305475      4.871800
  H      -3.264491     -7.761392      4.769512
  H      -1.794805     -8.142348      3.837077
  H      -6.284120     -6.746263      3.085606
  H      -5.319074     -7.362231      4.429004
  H      -4.367282     -6.241642      1.746560
  H      -4.172696     -7.912124      2.337740
  H      -1.463310     -4.193145      1.122629
  H      -3.173737     -4.606117      1.087553
  H      -0.951061     -5.923131      2.735094
  H      -1.846564     -6.667428      1.384892
  C       0.231048     -2.303781      1.953418
  N      -0.773100     -1.940552      2.948020
  C      -2.187236     -2.242796      2.710585
  C      -2.684175     -1.638024      1.386916
  C      -4.175624     -1.777833      1.204949
  C      -5.074787     -1.239976      2.139773
  C      -6.451874     -1.372306      1.967120
  C      -6.958845     -2.045547      0.854107
  C      -6.077247     -2.587628     -0.082122
  C      -4.698095     -2.452841      0.096200
  C      -7.973175     -6.566224      5.657985
  N      -7.100049     -5.417014      5.854368
  C      -6.540415     -4.704324      4.711272
  C      -7.559669     -4.520613      3.582764
  C      -8.725227     -3.598821      3.871181
  C      -9.676297     -3.388663      2.859769
  C     -10.730975     -2.494520      3.034277
  C     -10.860747     -1.791131      4.236529
  C      -9.935387     -2.005318      5.256476
  C      -8.876619     -2.901667      5.076501
  C      -3.601783     -6.093275      8.196324
  N      -2.989576     -4.780534      8.015241
  C      -1.906340     -4.722596      7.033480
  C      -0.587627     -5.247095      7.647245
  C      -0.008367     -4.228739      8.598002
  C      -0.029630     -4.404788      9.986870
  C       0.504182     -3.435462     10.842907
  C       1.065537     -2.268111     10.320417
  C       1.089350     -2.077878      8.934392
  C       0.559811     -3.050488      8.086542
  H       0.325907     -3.387064      1.746902
  H       1.210281     -1.954517      2.304283
  H       0.023224     -1.791711      1.006856
  H      -0.541137     -2.396325      3.832151
  H      -2.726504     -1.734403      3.519994
  H      -2.173158     -2.081507      0.520328
  H      -2.399555     -0.572486      1.409014
  H      -4.689811     -0.720461      3.018306
  H      -7.137164     -0.961761      2.711141
  H      -8.037109     -2.149832      0.728305
  H      -6.461883     -3.115834     -0.954998
  H      -4.009381     -2.872885     -0.641570
  H      -8.279266     -6.938223      6.646117
  H      -8.889856     -6.257832      5.134868
  H      -7.531698     -7.417278      5.103447
  H      -6.355620     -5.629048      6.519225
  H      -6.267744     -3.701755      5.071977
  H      -7.004120     -4.103777      2.728119
  H      -7.954289     -5.489967      3.241355
  H      -9.573791     -3.931455      1.915850
  H     -11.450645     -2.343881      2.228290
  H     -11.680691     -1.084782      4.379002
  H     -10.033227     -1.469104      6.203054
  H      -8.173629     -3.073383      5.890709
  H      -2.894916     -6.789374      8.672771
  H      -3.944452     -6.558535      7.248019
  H      -4.464053     -5.987795      8.866165
  H      -3.699244     -4.114698      7.696442
  H      -1.760650     -3.650272      6.846376
  H       0.131860     -5.432010      6.836328
  H      -0.751058     -6.202762      8.167865
  H      -0.477415     -5.311852     10.399966
  H       0.479706     -3.591382     11.923485
  H       1.482503     -1.509376     10.986322
  H       1.524975     -1.167881      8.516469
  H       0.580940     -2.895293      7.003378
  N      -3.877181     -3.000388      5.366724
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.997578326545
  N      -2.537459     -3.657305      2.869946
  C      -2.275954     -4.560030      1.744527
  C      -1.916952     -5.957946      2.241980
  N      -2.900065     -6.414081      3.232041
  C      -4.183332     -6.839035      2.662009
  C      -5.319358     -6.582218      3.648194
  N      -5.240323     -5.228279      4.204322
  Mo     -3.464986     -4.369287      4.482822
  N      -2.239815     -5.324801      5.721343
  C      -1.551586     -6.541026      5.294870
  C      -2.374920     -7.312378      4.265196
  H      -1.370164     -7.217546      6.147332
  H      -0.553739     -6.306795      4.872141
  H      -3.240668     -7.760066      4.774381
  H      -1.776976     -8.138166      3.831420
  H      -6.269208     -6.731930      3.109977
  H      -5.301278     -7.339657      4.455258
  H      -4.361740     -6.236880      1.760077
  H      -4.164190     -7.904580      2.358274
  H      -1.448897     -4.191768      1.119971
  H      -3.158697     -4.612969      1.078971
  H      -0.938283     -5.913324      2.742057
  H      -1.832694     -6.665721      1.393216
  C       0.202008     -2.270672      1.934298
  N      -0.814904     -1.882646      2.905984
  C      -2.221796     -2.226576      2.667951
  C      -2.720762     -1.664205      1.327262
  C      -4.210336     -1.809823      1.142412
  C      -5.112592     -1.234412      2.051309
  C      -6.488409     -1.359205      1.870420
  C      -6.992357     -2.065015      0.774259
  C      -6.108108     -2.647049     -0.134716
  C      -4.729688     -2.516793      0.051306
  C      -7.955718     -6.515436      5.688464
  N      -7.071016     -5.372354      5.874211
  C      -6.516286     -4.673487      4.718280
  C      -7.542347     -4.499480      3.596331
  C      -8.703486     -3.578315      3.890498
  C      -9.659337     -3.363538      2.884052
  C     -10.709933     -2.466083      3.063636
  C     -10.831079     -1.764895      4.266160
  C      -9.902454     -1.985897      5.283171
  C      -8.847205     -2.884495      5.097621
  C      -3.576274     -6.160479      8.178262
  N      -2.985811     -4.835687      8.020077
  C      -1.897954     -4.738984      7.045225
  C      -0.576480     -5.252387      7.656218
  C      -0.017592     -4.244482      8.627991
  C      -0.033578     -4.454959     10.012746
  C       0.480923     -3.495391     10.889832
  C       1.019195     -2.305643     10.393217
  C       1.038985     -2.081974      9.011343
  C       0.526623     -3.044185      8.141899
  H       0.328107     -3.361376      1.791138
  H       1.168241     -1.870944      2.269977
  H      -0.014350     -1.820866      0.957363
  H      -0.589319     -2.307298      3.807012
  H      -2.772978     -1.711312      3.466807
  H      -2.205862     -2.130335      0.475063
  H      -2.440764     -0.598248      1.321535
  H      -4.731395     -0.686623      2.915083
  H      -7.175690     -0.917640      2.594367
  H      -8.071280     -2.164877      0.640434
  H      -6.490840     -3.202732     -0.993950
  H      -4.040130     -2.966706     -0.667181
  H      -8.255006     -6.881180      6.680996
  H      -8.875004     -6.201003      5.173388
  H      -7.529559     -7.372227      5.130076
  H      -6.315968     -5.595081      6.522227
  H      -6.237884     -3.667570      5.066674
  H      -6.992531     -4.089333      2.736055
  H      -7.938351     -5.471985      3.264901
  H      -9.564298     -3.903790      1.939034
  H     -11.432872     -2.310517      2.260265
  H     -11.647660     -1.055888      4.411342
  H      -9.994232     -1.453287      6.230520
  H      -8.141380     -3.063244      5.910412
  H      -2.853079     -6.857559      8.627026
  H      -3.932332     -6.606884      7.227025
  H      -4.428073     -6.086048      8.867778
  H      -3.707469     -4.179185      7.713987
  H      -1.770703     -3.661188      6.878522
  H       0.153140     -5.412054      6.848325
  H      -0.727918     -6.218374      8.158526
  H      -0.462474     -5.380129     10.407654
  H       0.459059     -3.676199     11.967582
  H       1.420567     -1.554936     11.076233
  H       1.457553     -1.154695      8.612913
  H       0.544988     -2.863491      7.061693
  N      -3.837181     -2.988861      5.361708
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.998001660910
  N      -2.528114     -3.652331      2.855688
  C      -2.264952     -4.562196      1.735733
  C      -1.910394     -5.958193      2.243490
  N      -2.895591     -6.401519      3.237528
  C      -4.183648     -6.817370      2.668676
  C      -5.315346     -6.554395      3.657802
  N      -5.226618     -5.200305      4.213867
  Mo     -3.442777     -4.353361      4.480526
  N      -2.219426     -5.312242      5.715650
  C      -1.544194     -6.539655      5.296921
  C      -2.375435     -7.305800      4.269009
  H      -1.373241     -7.211320      6.154966
  H      -0.543415     -6.316904      4.875839
  H      -3.242646     -7.746619      4.781488
  H      -1.784893     -8.135833      3.833331
  H      -6.266277     -6.698461      3.119178
  H      -5.302621     -7.311681      4.465233
  H      -4.361112     -6.211226      1.769062
  H      -4.170749     -7.882071      2.361426
  H      -1.434293     -4.198904      1.112648
  H      -3.145182     -4.617371      1.066242
  H      -0.931394     -5.914958      2.743326
  H      -1.831719     -6.672467      1.399807
  C       0.198324     -2.274917      1.898034
  N      -0.819403     -1.857566      2.859091
  C      -2.223800     -2.220797      2.632656
  C      -2.728876     -1.688487      1.281826
  C      -4.220064     -1.835556      1.103335
  C      -5.119589     -1.248703      2.008635
  C      -6.497021     -1.366365      1.830390
  C      -7.005711     -2.074115      0.737719
  C      -6.125071     -2.669106     -0.167023
  C      -4.745536     -2.547973      0.018056
  C      -7.937593     -6.468108      5.718175
  N      -7.047634     -5.326668      5.892661
  C      -6.498894     -4.637728      4.726963
  C      -7.529738     -4.469284      3.606610
  C      -8.698035     -3.555589      3.899608
  C      -9.664347     -3.365174      2.899639
  C     -10.732879     -2.488808      3.082937
  C     -10.861829     -1.783963      4.283145
  C      -9.920338     -1.977431      5.292691
  C      -8.847440     -2.854784      5.103338
  C      -3.542665     -6.205968      8.163913
  N      -2.973322     -4.871046      8.023370
  C      -1.888408     -4.741916      7.049610
  C      -0.558786     -5.244942      7.649753
  C      -0.016245     -4.251686      8.647514
  C      -0.034306     -4.496544     10.026124
  C       0.459900     -3.549186     10.928733
  C       0.978931     -2.338171     10.464875
  C       1.000968     -2.080820      9.089834
  C       0.509086     -3.031116      8.194217
  H       0.334544     -3.369608      1.797356
  H       1.162115     -1.852105      2.216950
  H      -0.022679     -1.865159      0.902915
  H      -0.592049     -2.255934      3.772262
  H      -2.773759     -1.695059      3.425408
  H      -2.215968     -2.176246      0.440326
  H      -2.448850     -0.622739      1.248078
  H      -4.737019     -0.694641      2.868241
  H      -7.180192     -0.913439      2.551683
  H      -8.084327     -2.163144      0.600863
  H      -6.510880     -3.225547     -1.024164
  H      -4.060031     -3.007420     -0.699027
  H      -8.222069     -6.835235      6.714351
  H      -8.863940     -6.150799      5.217823
  H      -7.524616     -7.324950      5.150383
  H      -6.285383     -5.551599      6.532222
  H      -6.215351     -3.629181      5.065197
  H      -6.981107     -4.062089      2.742765
  H      -7.922385     -5.445407      3.279446
  H      -9.567168     -3.910059      1.957074
  H     -11.465797     -2.354936      2.285729
  H     -11.694277     -1.093717      4.431060
  H     -10.017065     -1.441806      6.238882
  H      -8.133423     -3.014847      5.910577
  H      -2.808815     -6.902280      8.598223
  H      -3.902618     -6.639973      7.207699
  H      -4.388618     -6.156242      8.864254
  H      -3.706298     -4.219645      7.731501
  H      -1.779743     -3.660311      6.898561
  H       0.173875     -5.372937      6.838586
  H      -0.691292     -6.225468      8.128038
  H      -0.447533     -5.437875     10.397708
  H       0.436815     -3.755448     12.001273
  H       1.363047     -1.597001     11.168638
  H       1.404071     -1.137195      8.715610
  H       0.527719     -2.823046      7.119958
  N      -3.798553     -2.963218      5.352244
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.998438780085
  N      -2.510667     -3.652286      2.834549
  C      -2.240529     -4.571653      1.724033
  C      -1.895589     -5.964098      2.248037
  N      -2.889639     -6.386564      3.242495
  C      -4.179233     -6.792106      2.668659
  C      -5.310102     -6.523334      3.655428
  N      -5.212340     -5.169949      4.212913
  Mo     -3.420939     -4.331404      4.469060
  N      -2.201698     -5.289221      5.704842
  C      -1.545151     -6.533241      5.304370
  C      -2.382869     -7.294973      4.278227
  H      -1.393211     -7.195367      6.172852
  H      -0.538186     -6.328882      4.889653
  H      -3.255145     -7.723727      4.792037
  H      -1.801258     -8.133112      3.846431
  H      -6.260100     -6.660743      3.112507
  H      -5.306040     -7.281421      4.462444
  H      -4.350569     -6.179788      1.771584
  H      -4.172084     -7.855397      2.356438
  H      -1.401038     -4.217828      1.107472
  H      -3.114078     -4.627230      1.045368
  H      -0.918612     -5.922388      2.752464
  H      -1.819201     -6.688590      1.413192
  C       0.211239     -2.292330      1.861210
  N      -0.813250     -1.838938      2.800475
  C      -2.214449     -2.221345      2.587768
  C      -2.734029     -1.722633      1.229989
  C      -4.228324     -1.866613      1.074601
  C      -5.111898     -1.270845      1.989237
  C      -6.493365     -1.379190      1.830514
  C      -7.023034     -2.086206      0.746380
  C      -6.158166     -2.690001     -0.167688
  C      -4.774635     -2.580009     -0.000503
  C      -7.916464     -6.422274      5.729543
  N      -7.026891     -5.279544      5.895504
  C      -6.481616     -4.599063      4.723018
  C      -7.517130     -4.435208      3.606047
  C      -8.693261     -3.534309      3.905979
  C      -9.672395     -3.360288      2.914925
  C     -10.760487     -2.510397      3.111843
  C     -10.895251     -1.813941      4.315939
  C      -9.936146     -1.985396      5.313487
  C      -8.844654     -2.836478      5.111037
  C      -3.514194     -6.245904      8.141093
  N      -2.969052     -4.899952      8.018791
  C      -1.887108     -4.733999      7.048893
  C      -0.547732     -5.224457      7.637510
  C      -0.022061     -4.248821      8.661648
  C      -0.057839     -4.524043     10.033669
  C       0.415708     -3.591613     10.962512
  C       0.930518     -2.366434     10.531927
  C       0.970965     -2.079940      9.164207
  C       0.500080     -3.015586      8.241267
  H       0.361702     -3.390010      1.813437
  H       1.169449     -1.842292      2.164236
  H      -0.009560     -1.931097      0.846651
  H      -0.582215     -2.199071      3.729513
  H      -2.762745     -1.683660      3.373435
  H      -2.232160     -2.238685      0.399019
  H      -2.451002     -0.660113      1.157359
  H      -4.716739     -0.714792      2.842105
  H      -7.162105     -0.917956      2.559814
  H      -8.104603     -2.166262      0.620653
  H      -6.559270     -3.244180     -1.019226
  H      -4.103505     -3.048452     -0.725585
  H      -8.185457     -6.793765      6.728906
  H      -8.851289     -6.104442      5.243157
  H      -7.510810     -7.276305      5.150827
  H      -6.260284     -5.500616      6.530083
  H      -6.192641     -3.588806      5.051915
  H      -6.973487     -4.025427      2.740072
  H      -7.903788     -5.414371      3.281019
  H      -9.574633     -3.900048      1.969422
  H     -11.506277     -2.392446      2.323570
  H     -11.745504     -1.148077      4.474496
  H     -10.034996     -1.455124      6.262292
  H      -8.118671     -2.983518      5.909586
  H      -2.766860     -6.936216      8.562354
  H      -3.874792     -6.670221      7.180709
  H      -4.356312     -6.222960      8.848572
  H      -3.715204     -4.257189      7.742208
  H      -1.799704     -3.648347      6.913121
  H       0.187465     -5.317465      6.823456
  H      -0.659604     -6.221156      8.088873
  H      -0.466762     -5.476057     10.381086
  H       0.379922     -3.820344     12.029328
  H       1.297674     -1.637340     11.257209
  H       1.371682     -1.126072      8.814399
  H       0.533949     -2.784662      7.172333
  N      -3.761646     -2.927401      5.326273
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.998799950232
  N      -2.497989     -3.655125      2.810168
  C      -2.229460     -4.584570      1.706943
  C      -1.888745     -5.973818      2.242350
  N      -2.885137     -6.381320      3.242221
  C      -4.178454     -6.780583      2.670853
  C      -5.306339     -6.503994      3.659457
  N      -5.199779     -5.149817      4.214348
  Mo     -3.401662     -4.317780      4.454810
  N      -2.181353     -5.273576      5.692081
  C      -1.540191     -6.530023      5.304780
  C      -2.384970     -7.289199      4.282651
  H      -1.400877     -7.185577      6.179580
  H      -0.528898     -6.340809      4.893084
  H      -3.260384     -7.708350      4.799387
  H      -1.811062     -8.133903      3.853747
  H      -6.258180     -6.637549      3.118827
  H      -5.303998     -7.261260      4.467411
  H      -4.347048     -6.166334      1.774240
  H      -4.178385     -7.843784      2.358058
  H      -1.387004     -4.241856      1.088018
  H      -3.102667     -4.639618      1.028077
  H      -0.911255     -5.931372      2.745718
  H      -1.814277     -6.706147      1.414457
  C       0.219555     -2.317743      1.818888
  N      -0.807476     -1.832301      2.742421
  C      -2.206820     -2.225424      2.544057
  C      -2.738056     -1.745232      1.184892
  C      -4.234540     -1.885271      1.044540
  C      -5.108056     -1.287182      1.967384
  C      -6.491292     -1.385249      1.816774
  C      -7.032314     -2.083921      0.733329
  C      -6.177382     -2.691885     -0.187502
  C      -4.791838     -2.593054     -0.028448
  C      -7.894539     -6.386733      5.750657
  N      -7.002564     -5.244140      5.905791
  C      -6.463432     -4.569741      4.726981
  C      -7.505459     -4.409210      3.615756
  C      -8.685122     -3.515347      3.923034
  C      -9.678044     -3.357891      2.942894
  C     -10.777156     -2.525496      3.151843
  C     -10.908602     -1.828573      4.356428
  C      -9.932062     -1.979640      5.340581
  C      -8.830106     -2.813584      5.126598
  C      -3.476314     -6.291922      8.117324
  N      -2.958277     -4.934031      8.012591
  C      -1.881698     -4.729879      7.044354
  C      -0.529961     -5.198200      7.623026
  C      -0.033050     -4.238983      8.675823
  C      -0.096476     -4.541748     10.041359
  C       0.344356     -3.622774     10.999273
  C       0.853044     -2.383907     10.603946
  C       0.921042     -2.070509      9.243342
  C       0.482334     -2.992522      8.291306
  H       0.376873     -3.414902      1.813773
  H       1.177984     -1.852430      2.099414
  H      -0.008694     -1.996820      0.790958
  H      -0.570777     -2.158765      3.683483
  H      -2.752713     -1.682000      3.326607
  H      -2.244226     -2.278608      0.359572
  H      -2.452139     -0.685507      1.087966
  H      -4.704800     -0.735223      2.819235
  H      -7.151946     -0.921671      2.552273
  H      -8.114320     -2.154562      0.612840
  H      -6.587247     -3.239931     -1.038349
  H      -4.128469     -3.064368     -0.759580
  H      -8.144265     -6.764296      6.751470
  H      -8.837360     -6.066151      5.284428
  H      -7.499310     -7.236658      5.160174
  H      -6.230290     -5.462558      6.534179
  H      -6.167780     -3.558796      5.048136
  H      -6.969576     -3.996545      2.745804
  H      -7.890293     -5.390279      3.293746
  H      -9.584374     -3.899538      1.997807
  H     -11.535653     -2.422102      2.373883
  H     -11.769412     -1.179267      4.525133
  H     -10.026767     -1.447384      6.289183
  H      -8.090669     -2.946503      5.915299
  H      -2.709760     -6.971121      8.522255
  H      -3.834378     -6.709345      7.152958
  H      -4.313586     -6.296525      8.830369
  H      -3.717611     -4.300115      7.750040
  H      -1.820176     -3.641197      6.922092
  H       0.205386     -5.249654      6.805375
  H      -0.614160     -6.209251      8.047688
  H      -0.501790     -5.504351     10.360636
  H       0.287094     -3.873027     12.060836
  H       1.194870     -1.665395     11.352001
  H       1.317180     -1.105947      8.920868
  H       0.536367     -2.739894      7.228433
  N      -3.728775     -2.904861      5.301064
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.999158618725
  N      -2.485493     -3.658454      2.781867
  C      -2.221417     -4.601579      1.688713
  C      -1.885044     -5.985092      2.237781
  N      -2.884255     -6.378397      3.240743
  C      -4.178678     -6.775933      2.673355
  C      -5.303652     -6.485813      3.661297
  N      -5.188801     -5.129316      4.207498
  Mo     -3.387675     -4.298364      4.435281
  N      -2.167687     -5.248103      5.679278
  C      -1.538507     -6.514740      5.304513
  C      -2.388909     -7.277725      4.290173
  H      -1.405936     -7.163285      6.185037
  H      -0.524399     -6.337250      4.893985
  H      -3.266308     -7.687463      4.811397
  H      -1.820097     -8.129583      3.868637
  H      -6.257510     -6.618114      3.125414
  H      -5.301207     -7.238298      4.473211
  H      -4.344144     -6.165976      1.773460
  H      -4.185585     -7.841093      2.367419
  H      -1.378162     -4.273092      1.063531
  H      -3.096794     -4.657859      1.013577
  H      -0.908683     -5.938650      2.742465
  H      -1.807705     -6.726050      1.418053
  C       0.229159     -2.340812      1.789074
  N      -0.804870     -1.827762      2.689165
  C      -2.200359     -2.232503      2.497822
  C      -2.740519     -1.768097      1.137586
  C      -4.239400     -1.903523      1.014354
  C      -5.100401     -1.307608      1.949499
  C      -6.486406     -1.398870      1.810985
  C      -7.041723     -2.089015      0.729676
  C      -6.198542     -2.696340     -0.201949
  C      -4.810157     -2.605368     -0.055600
  C      -7.871874     -6.355670      5.770559
  N      -6.979559     -5.212106      5.910655
  C      -6.448137     -4.542089      4.725992
  C      -7.496588     -4.386467      3.620898
  C      -8.680948     -3.499416      3.934921
  C      -9.689997     -3.362584      2.967688
  C     -10.798570     -2.544960      3.187007
  C     -10.922508     -1.840833      4.387950
  C      -9.925727     -1.966855      5.356283
  C      -8.814856     -2.786454      5.132829
  C      -3.437659     -6.324858      8.098783
  N      -2.949011     -4.954890      8.008257
  C      -1.882362     -4.714324      7.037746
  C      -0.515168     -5.159437      7.601070
  C      -0.044506     -4.224788      8.686038
  C      -0.130183     -4.567691     10.040826
  C       0.285507     -3.674075     11.032726
  C       0.790354     -2.419904     10.681482
  C       0.880251     -2.066445      9.332366
  C       0.466803     -2.963386      8.345833
  H       0.396247     -3.434956      1.830063
  H       1.183394     -1.857232      2.050294
  H      -0.003131     -2.065169      0.749603
  H      -0.562387     -2.115429      3.640483
  H      -2.747501     -1.686274      3.277212
  H      -2.256305     -2.317842      0.317287
  H      -2.450341     -0.711905      1.019227
  H      -4.686218     -0.761613      2.799612
  H      -7.137818     -0.936985      2.555301
  H      -8.124986     -2.154731      0.619881
  H      -6.619530     -3.238276     -1.050711
  H      -4.156154     -3.076902     -0.794525
  H      -8.103667     -6.735130      6.775258
  H      -8.823391     -6.034993      5.321437
  H      -7.482967     -7.203621      5.173053
  H      -6.200059     -5.421544      6.533290
  H      -6.146580     -3.531424      5.041444
  H      -6.970381     -3.969302      2.747026
  H      -7.877586     -5.369709      3.302602
  H      -9.601885     -3.910495      2.025918
  H     -11.571651     -2.457617      2.421091
  H     -11.792765     -1.206057      4.565349
  H     -10.012671     -1.425870      6.300515
  H      -8.058538     -2.899674      5.908920
  H      -2.645838     -6.987205      8.482837
  H      -3.796817     -6.739077      7.133533
  H      -4.267481     -6.358073      8.818226
  H      -3.724175     -4.332027      7.766067
  H      -1.846398     -3.622866      6.928148
  H       0.216482     -5.162369      6.778638
  H      -0.566985     -6.186721      7.991873
  H      -0.532981     -5.542918     10.323520
  H       0.212080     -3.957184     12.084873
  H       1.113794     -1.721555     11.456054
  H       1.274205     -1.089746      9.044204
  H       0.539587     -2.679595      7.291580
  N      -3.707981     -2.874558      5.266170
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.999418289652
  N      -2.479112     -3.661379      2.753195
  C      -2.228696     -4.613603      1.664965
  C      -1.887013     -5.993138      2.219812
  N      -2.877573     -6.384733      3.232222
  C      -4.176289     -6.787073      2.678406
  C      -5.295059     -6.486159      3.671520
  N      -5.175782     -5.125284      4.203989
  Mo     -3.374552     -4.291399      4.415996
  N      -2.152785     -5.236259      5.667549
  C      -1.520393     -6.501583      5.292014
  C      -2.372855     -7.272911      4.285765
  H      -1.378033     -7.150131      6.170841
  H      -0.508835     -6.321261      4.875889
  H      -3.247105     -7.682979      4.812694
  H      -1.802396     -8.125248      3.867153
  H      -6.253921     -6.623069      3.145760
  H      -5.284780     -7.231503      4.490443
  H      -4.347117     -6.186732      1.772687
  H      -4.187693     -7.855476      2.384168
  H      -1.393248     -4.291920      1.025487
  H      -3.112991     -4.674040      1.001918
  H      -0.907152     -5.940725      2.717148
  H      -1.811303     -6.738462      1.403833
  C       0.224009     -2.368779      1.733747
  N      -0.799823     -1.829784      2.631776
  C      -2.195950     -2.237539      2.459536
  C      -2.749275     -1.774795      1.103512
  C      -4.249409     -1.907745      0.992047
  C      -5.102871     -1.316913      1.937477
  C      -6.488941     -1.405461      1.806421
  C      -7.051690     -2.089386      0.725510
  C      -6.215221     -2.691237     -0.216048
  C      -4.826350     -2.601720     -0.078689
  C      -7.848334     -6.341848      5.792726
  N      -6.954057     -5.198452      5.920274
  C      -6.430104     -4.533269      4.731002
  C      -7.485227     -4.382459      3.633999
  C      -8.665070     -3.492147      3.954455
  C      -9.686645     -3.363551      2.999307
  C     -10.787767     -2.537544      3.222950
  C     -10.891621     -1.817988      4.416634
  C      -9.882222     -1.937057      5.373641
  C      -8.778417     -2.764315      5.145387
  C      -3.411858     -6.357649      8.079805
  N      -2.945389     -4.978191      7.999188
  C      -1.882450     -4.707855      7.031099
  C      -0.504912     -5.128606      7.593386
  C      -0.066966     -4.210116      8.705522
  C      -0.177405     -4.579581     10.051830
  C       0.205771     -3.702128     11.070513
  C       0.701996     -2.435889     10.754960
  C       0.814794     -2.054816      9.415114
  C       0.434175     -2.936199      8.402148
  H       0.387374     -3.460451      1.804011
  H       1.183386     -1.883814      1.966656
  H      -0.023479     -2.123896      0.690358
  H      -0.545093     -2.089048      3.587910
  H      -2.734619     -1.691661      3.244254
  H      -2.274051     -2.326296      0.278771
  H      -2.457270     -0.719430      0.981805
  H      -4.682053     -0.778816      2.788472
  H      -7.135953     -0.949965      2.559016
  H      -8.136421     -2.157804      0.626424
  H      -6.642450     -3.229783     -1.063892
  H      -4.176577     -3.068554     -0.824497
  H      -8.069138     -6.719153      6.800520
  H      -8.804372     -6.021703      5.353665
  H      -7.463921     -7.190733      5.194446
  H      -6.170343     -5.403051      6.538061
  H      -6.125323     -3.522594      5.041813
  H      -6.967867     -3.966685      2.755266
  H      -7.869507     -5.365976      3.321600
  H      -9.611545     -3.922693      2.063035
  H     -11.570652     -2.454051      2.466024
  H     -11.756249     -1.176702      4.597872
  H      -9.953598     -1.382929      6.311505
  H      -8.010101     -2.869175      5.912031
  H      -2.603013     -7.006131      8.450155
  H      -3.768818     -6.771509      7.114661
  H      -4.238115     -6.411691      8.800543
  H      -3.731604     -4.366814      7.766310
  H      -1.868583     -3.614002      6.929968
  H       0.226292     -5.088857      6.771576
  H      -0.529049     -6.167201      7.959255
  H      -0.574728     -5.564672     10.303989
  H       0.113633     -4.007765     12.115083
  H       1.001056     -1.749687     11.550135
  H       1.200846     -1.067621      9.155667
  H       0.522795     -2.630395      7.356189
  N      -3.692954     -2.864606      5.241215
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.999655101152
  N      -2.475675     -3.658928      2.741359
  C      -2.236567     -4.617847      1.657452
  C      -1.893269     -5.994394      2.214936
  N      -2.878413     -6.388558      3.228895
  C      -4.177514     -6.795096      2.684997
  C      -5.292084     -6.483299      3.678800
  N      -5.171771     -5.118774      4.198437
  Mo     -3.373765     -4.280969      4.407437
  N      -2.156903     -5.224314      5.667904
  C      -1.516865     -6.483596      5.284677
  C      -2.366652     -7.265474      4.285518
  H      -1.357296     -7.135211      6.158574
  H      -0.510533     -6.294889      4.860187
  H      -3.237441     -7.678278      4.815220
  H      -1.790999     -8.116917      3.871319
  H      -6.253437     -6.624954      3.160257
  H      -5.276488     -7.221297      4.504054
  H      -4.351601     -6.207220      1.772402
  H      -4.192488     -7.867193      2.405222
  H      -1.407597     -4.301200      1.007674
  H      -3.127187     -4.681565      1.003148
  H      -0.912796     -5.937252      2.710274
  H      -1.815038     -6.741214      1.400037
  C       0.218503     -2.382354      1.724812
  N      -0.803141     -1.824757      2.611759
  C      -2.196894     -2.236672      2.445499
  C      -2.754720     -1.775329      1.090486
  C      -4.255143     -1.910297      0.979788
  C      -5.109242     -1.325473      1.928419
  C      -6.494856     -1.418595      1.795947
  C      -7.056033     -2.102262      0.713428
  C      -6.218753     -2.698860     -0.230548
  C      -4.830218     -2.602953     -0.093603
  C      -7.838969     -6.332379      5.810371
  N      -6.942794     -5.189167      5.926917
  C      -6.424489     -4.526761      4.733535
  C      -7.485068     -4.381138      3.640305
  C      -8.664025     -3.486690      3.959687
  C      -9.698023     -3.377484      3.016139
  C     -10.792349     -2.540678      3.234414
  C     -10.876796     -1.791710      4.411187
  C      -9.856329     -1.893031      5.357765
  C      -8.759136     -2.731162      5.134939
  C      -3.366760     -6.399196      8.078619
  N      -2.937360     -5.007907      8.011555
  C      -1.893573     -4.702597      7.032302
  C      -0.499955     -5.095607      7.576015
  C      -0.078163     -4.194543      8.704079
  C      -0.204893     -4.589728     10.041817
  C       0.165516     -3.733444     11.080185
  C       0.668246     -2.461094     10.793214
  C       0.798540     -2.053537      9.461863
  C       0.428504     -2.914349      8.429312
  H       0.384967     -3.471543      1.829143
  H       1.176597     -1.886833      1.935908
  H      -0.037351     -2.172115      0.677574
  H      -0.542484     -2.054898      3.572417
  H      -2.735320     -1.693057      3.232649
  H      -2.282459     -2.324565      0.262375
  H      -2.462513     -0.719485      0.972872
  H      -4.687541     -0.790108      2.781471
  H      -7.143381     -0.968069      2.549893
  H      -8.140019     -2.175610      0.617572
  H      -6.645136     -3.238185     -1.078880
  H      -4.178319     -3.064779     -0.839966
  H      -8.052101     -6.705015      6.822291
  H      -8.798713     -6.014166      5.377070
  H      -7.456432     -7.183653      5.214601
  H      -6.155648     -5.389970      6.544118
  H      -6.119183     -3.515763      5.041609
  H      -6.973486     -3.967795      2.756890
  H      -7.870932     -5.365539      3.334517
  H      -9.634553     -3.958749      2.093047
  H     -11.584330     -2.470365      2.486499
  H     -11.735158     -1.140505      4.588390
  H      -9.913321     -1.315394      6.282161
  H      -7.980630     -2.817921      5.893177
  H      -2.534088     -7.033069      8.420051
  H      -3.729488     -6.805592      7.110910
  H      -4.177912     -6.487478      8.813411
  H      -3.739268     -4.409374      7.801904
  H      -1.906024     -3.609119      6.940845
  H       0.222401     -5.017873      6.749503
  H      -0.493781     -6.140227      7.916667
  H      -0.607545     -5.580871     10.268047
  H       0.058569     -4.061221     12.117295
  H       0.959438     -1.791271     11.603222
  H       1.190564     -1.061141      9.226284
  H       0.533238     -2.589883      7.389415
  N      -3.701881     -2.854611      5.228617
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.999833540010
  N      -2.471399     -3.656810      2.719344
  C      -2.241199     -4.620743      1.638838
  C      -1.893412     -5.994901      2.200380
  N      -2.870162     -6.390810      3.220810
  C      -4.172274     -6.803823      2.689491
  C      -5.281296     -6.483673      3.686864
  N      -5.160755     -5.113859      4.191554
  Mo     -3.364673     -4.273400      4.392043
  N      -2.153305     -5.213373      5.661459
  C      -1.500357     -6.464441      5.272132
  C      -2.347133     -7.258271      4.279546
  H      -1.323892     -7.115583      6.143793
  H      -0.500282     -6.263933      4.838995
  H      -3.212692     -7.675593      4.814483
  H      -1.765652     -8.107427      3.868251
  H      -6.245358     -6.632403      3.174532
  H      -5.260621     -7.212811      4.520115
  H      -4.353680     -6.228337      1.770308
  H      -4.188036     -7.879517      2.423346
  H      -1.418075     -4.304384      0.981051
  H      -3.136505     -4.690550      0.990785
  H      -0.910011     -5.934223      2.689869
  H      -1.819032     -6.743773      1.386666
  C       0.211912     -2.397506      1.685750
  N      -0.799665     -1.819369      2.569637
  C      -2.194994     -2.234774      2.417805
  C      -2.761892     -1.780534      1.062638
  C      -4.262637     -1.916559      0.960341
  C      -5.111523     -1.332821      1.914026
  C      -6.498061     -1.430358      1.791864
  C      -7.065759     -2.116163      0.714071
  C      -6.234070     -2.710874     -0.235510
  C      -4.844991     -2.610601     -0.108575
  C      -7.817048     -6.318917      5.832812
  N      -6.919116     -5.175396      5.935652
  C      -6.410678     -4.521576      4.733832
  C      -7.480423     -4.384239      3.649474
  C      -8.653162     -3.485124      3.974446
  C      -9.699433     -3.382852      3.043518
  C     -10.782349     -2.531967      3.262265
  C     -10.843032     -1.763139      4.427514
  C      -9.813114     -1.860760      5.364288
  C      -8.727059     -2.712711      5.140445
  C      -3.357604     -6.421508      8.060316
  N      -2.943366     -5.023889      8.002047
  C      -1.900730     -4.696936      7.028958
  C      -0.502107     -5.076056      7.574732
  C      -0.097728     -4.188928      8.721532
  C      -0.232758     -4.606566     10.051479
  C       0.118161     -3.764029     11.107970
  C       0.607868     -2.481602     10.848683
  C       0.745370     -2.050810      9.526074
  C       0.396969     -2.899186      8.474735
  H       0.376971     -3.484460      1.817029
  H       1.171122     -1.896184      1.874354
  H      -0.052773     -2.214805      0.636426
  H      -0.533194     -2.025757      3.534023
  H      -2.726870     -1.686821      3.206590
  H      -2.296492     -2.330642      0.232086
  H      -2.469865     -0.724502      0.943335
  H      -4.684161     -0.798026      2.764324
  H      -7.142120     -0.981098      2.549845
  H      -8.150729     -2.192917      0.627305
  H      -6.665620     -3.251839     -1.080282
  H      -4.197321     -3.071331     -0.858557
  H      -8.023598     -6.682865      6.849674
  H      -8.779751     -6.004106      5.402625
  H      -7.439035     -7.175719      5.241633
  H      -6.129021     -5.375193      6.548634
  H      -6.104900     -3.507982      5.032589
  H      -6.975565     -3.977507      2.759504
  H      -7.870345     -5.370050      3.353071
  H      -9.652641     -3.978557      2.128550
  H     -11.582819     -2.465809      2.522631
  H     -11.690713     -1.098319      4.604314
  H      -9.852906     -1.269149      6.280485
  H      -7.940733     -2.794742      5.891970
  H      -2.519119     -7.049978      8.395951
  H      -3.719575     -6.826667      7.093372
  H      -4.167719     -6.525564      8.794077
  H      -3.753773     -4.436166      7.797598
  H      -1.926748     -3.601618      6.944356
  H       0.221997     -4.969542      6.752650
  H      -0.481397     -6.128610      7.895085
  H      -0.625383     -5.605436     10.255689
  H       0.005803     -4.109984     12.137424
  H       0.882771     -1.821373     11.673064
  H       1.127131     -1.050087      9.312867
  H       0.506866     -2.556815      7.441984
  N      -3.698938     -2.845392      5.208806
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5811.999967764834
  N      -2.468603     -3.653474      2.711788
  C      -2.248106     -4.616406      1.629145
  C      -1.896144     -5.991099      2.188782
  N      -2.865117     -6.388407      3.215809
  C      -4.170694     -6.804330      2.694161
  C      -5.274508     -6.481971      3.696509
  N      -5.154232     -5.109105      4.192982
  Mo     -3.359159     -4.267121      4.387347
  N      -2.152445     -5.209574      5.658844
  C      -1.487746     -6.451535      5.260932
  C      -2.332823     -7.252815      4.272777
  H      -1.295541     -7.101992      6.129509
  H      -0.494520     -6.238508      4.818241
  H      -3.193450     -7.675438      4.811703
  H      -1.746946     -8.098391      3.860648
  H      -6.240821     -6.635025      3.188352
  H      -5.250133     -7.206302      4.534153
  H      -4.359174     -6.234963      1.772453
  H      -4.186211     -7.881587      2.433963
  H      -1.429929     -4.298159      0.965742
  H      -3.147378     -4.687768      0.986234
  H      -0.909042     -5.930888      2.671096
  H      -1.829072     -6.739388      1.373856
  C       0.206991     -2.407362      1.664245
  N      -0.797687     -1.812357      2.544939
  C      -2.194136     -2.229924      2.408275
  C      -2.771112     -1.781519      1.054315
  C      -4.271797     -1.925422      0.956115
  C      -5.121831     -1.344792      1.911391
  C      -6.507353     -1.446959      1.792413
  C      -7.074791     -2.135949      0.715700
  C      -6.242604     -2.726546     -0.236480
  C      -4.854476     -2.620329     -0.112462
  C      -7.803064     -6.310011      5.850091
  N      -6.904303     -5.165798      5.946210
  C      -6.401901     -4.517925      4.738728
  C      -7.477776     -4.385893      3.658718
  C      -8.644453     -3.478382      3.981117
  C      -9.699016     -3.385692      3.058051
  C     -10.773609     -2.522709      3.270789
  C     -10.817667     -1.732172      4.422666
  C      -9.781840     -1.821861      5.353178
  C      -8.704166     -2.686018      5.134691
  C      -3.334305     -6.457407      8.049398
  N      -2.940549     -5.054628      8.002245
  C      -1.906029     -4.701705      7.030268
  C      -0.501551     -5.063392      7.570652
  C      -0.110163     -4.184657      8.727997
  C      -0.263065     -4.611241     10.053572
  C       0.072405     -3.775501     11.120103
  C       0.564640     -2.491071     10.876414
  C       0.720053     -2.051518      9.558652
  C       0.386632     -2.893343      8.497011
  H       0.376285     -3.491230      1.819937
  H       1.166453     -1.896363      1.830790
  H      -0.067800     -2.249416      0.612178
  H      -0.526166     -1.995469      3.513368
  H      -2.719872     -1.677452      3.197699
  H      -2.306184     -2.328935      0.221397
  H      -2.485306     -0.723389      0.934674
  H      -4.695257     -0.808933      2.761987
  H      -7.151389     -1.000190      2.552488
  H      -8.160597     -2.218246      0.631923
  H      -6.673787     -3.269576     -1.080926
  H      -4.206457     -3.078511     -0.864401
  H      -8.007434     -6.668348      6.869604
  H      -8.766732     -5.998192      5.419379
  H      -7.427876     -7.170501      5.262040
  H      -6.115329     -5.366508      6.559886
  H      -6.096074     -3.501795      5.029256
  H      -6.973647     -3.990047      2.763057
  H      -7.873659     -5.372474      3.372006
  H      -9.665398     -3.998196      2.153177
  H     -11.579747     -2.465568      2.536405
  H     -11.656912     -1.055542      4.594377
  H      -9.809490     -1.214950      6.260088
  H      -7.914358     -2.760520      5.882455
  H      -2.488774     -7.082422      8.373583
  H      -3.699429     -6.856361      7.080831
  H      -4.137056     -6.580085      8.789958
  H      -3.760431     -4.476824      7.807490
  H      -1.950115     -3.606601      6.954836
  H       0.220904     -4.934817      6.750054
  H      -0.465369     -6.119289      7.876064
  H      -0.657890     -5.611327     10.246385
  H      -0.054265     -4.127816     12.145708
  H       0.826908     -1.835595     11.708585
  H       1.104743     -1.049561      9.358332
  H       0.510897     -2.544949      7.467915
  N      -3.697051     -2.841678      5.205946
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000047692262
  N      -2.466297     -3.650609      2.703568
  C      -2.247195     -4.613004      1.620190
  C      -1.896318     -5.988570      2.179160
  N      -2.863023     -6.382782      3.209767
  C      -4.169660     -6.801501      2.693278
  C      -5.270659     -6.478350      3.698317
  N      -5.151505     -5.103127      4.189461
  Mo     -3.357446     -4.259319      4.379379
  N      -2.155764     -5.201704      5.653831
  C      -1.482085     -6.437610      5.251673
  C      -2.326252     -7.244427      4.267286
  H      -1.279805     -7.085643      6.119224
  H      -0.493951     -6.215134      4.802472
  H      -3.183641     -7.668904      4.809584
  H      -1.738278     -8.088656      3.855749
  H      -6.237599     -6.634625      3.192097
  H      -5.243861     -7.199583      4.538338
  H      -4.362219     -6.235180      1.770688
  H      -4.183816     -7.879517      2.436025
  H      -1.427574     -4.295513      0.958022
  H      -3.145733     -4.683090      0.976241
  H      -0.907543     -5.931759      2.658230
  H      -1.834844     -6.736547      1.363668
  C       0.210600     -2.416914      1.658729
  N      -0.793862     -1.809426      2.530091
  C      -2.191252     -2.226718      2.397664
  C      -2.771199     -1.783215      1.042991
  C      -4.271330     -1.932720      0.948177
  C      -5.121393     -1.356359      1.905771
  C      -6.507738     -1.464179      1.791415
  C      -7.076103     -2.153185      0.714901
  C      -6.244454     -2.739618     -0.239998
  C      -4.855698     -2.628311     -0.119733
  C      -7.788722     -6.299929      5.871054
  N      -6.889968     -5.154447      5.955326
  C      -6.397245     -4.513318      4.739585
  C      -7.481758     -4.388934      3.666065
  C      -8.643665     -3.476187      3.989035
  C      -9.708749     -3.395085      3.076537
  C     -10.779471     -2.527491      3.288837
  C     -10.808768     -1.719412      4.429192
  C      -9.763258     -1.797886      5.349513
  C      -8.690055     -2.667733      5.132014
  C      -3.324043     -6.475738      8.039315
  N      -2.943064     -5.069823      7.998379
  C      -1.913450     -4.699831      7.028639
  C      -0.505354     -5.051117      7.564495
  C      -0.120929     -4.181338      8.730733
  C      -0.290756     -4.616154     10.051550
  C       0.036578     -3.788556     11.126946
  C       0.537484     -2.504839     10.897114
  C       0.710329     -2.057816      9.584486
  C       0.384588     -2.891361      8.513490
  H       0.382774     -3.498222      1.830769
  H       1.168403     -1.899347      1.814786
  H      -0.065177     -2.275760      0.604343
  H      -0.524037     -1.972246      3.502904
  H      -2.715892     -1.668950      3.184125
  H      -2.305200     -2.330710      0.211081
  H      -2.489936     -0.724443      0.920402
  H      -4.694523     -0.819445      2.756186
  H      -7.150520     -1.018993      2.552950
  H      -8.160805     -2.235197      0.631256
  H      -6.675794     -3.280500     -1.085195
  H      -4.208435     -3.083605     -0.874141
  H      -7.985425     -6.653158      6.893298
  H      -8.755230     -5.991242      5.445626
  H      -7.418928     -7.163406      5.283940
  H      -6.098845     -5.353632      6.567782
  H      -6.090826     -3.494271      5.019709
  H      -6.981632     -4.002242      2.763579
  H      -7.881209     -5.377438      3.390340
  H      -9.687967     -4.021275      2.180492
  H     -11.593688     -2.481777      2.562849
  H     -11.643891     -1.037952      4.600330
  H      -9.779406     -1.178528      6.248330
  H      -7.894197     -2.733497      5.874032
  H      -2.474111     -7.096776      8.359833
  H      -3.689363     -6.873068      7.070272
  H      -4.123808     -6.609050      8.781794
  H      -3.769987     -4.499584      7.809788
  H      -1.969104     -3.604835      6.960042
  H       0.216318     -4.907157      6.745705
  H      -0.459493     -6.109993      7.857442
  H      -0.692010     -5.615340     10.234669
  H      -0.103359     -4.146486     12.148689
  H       0.792823     -1.855443     11.736272
  H       1.103028     -1.056959      9.395329
  H       0.522608     -2.537314      7.488285
  N      -3.699361     -2.833369      5.196101
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000097767228
  N      -2.465216     -3.647854      2.699912
  C      -2.249725     -4.608982      1.614391
  C      -1.898551     -5.985358      2.170792
  N      -2.862405     -6.376286      3.205778
  C      -4.169968     -6.796971      2.693234
  C      -5.267875     -6.474671      3.701943
  N      -5.148996     -5.098309      4.189993
  Mo     -3.355083     -4.253515      4.375804
  N      -2.156638     -5.197738      5.650526
  C      -1.477952     -6.430279      5.244657
  C      -2.322298     -7.238159      4.261645
  H      -1.270861     -7.077452      6.111198
  H      -0.492899     -6.201735      4.791967
  H      -3.177403     -7.664316      4.805918
  H      -1.733971     -8.080894      3.847788
  H      -6.236335     -6.632836      3.199321
  H      -5.236854     -7.194384      4.542982
  H      -4.366167     -6.230211      1.771728
  H      -4.182836     -7.874831      2.435437
  H      -1.430617     -4.292805      0.951005
  H      -3.149881     -4.676680      0.972818
  H      -0.907542     -5.931861      2.645390
  H      -1.843175     -6.732853      1.354676
  C       0.213346     -2.420877      1.660057
  N      -0.794216     -1.805570      2.520964
  C      -2.191235     -2.224269      2.391183
  C      -2.774620     -1.783601      1.036948
  C      -4.274010     -1.939411      0.944417
  C      -5.125087     -1.365538      1.902570
  C      -6.511021     -1.476177      1.789622
  C      -7.078418     -2.166433      0.713428
  C      -6.245809     -2.750418     -0.242245
  C      -4.857396     -2.636410     -0.123068
  C      -7.778004     -6.290529      5.888357
  N      -6.879391     -5.144445      5.963591
  C      -6.393094     -4.508737      4.742205
  C      -7.482862     -4.391920      3.672740
  C      -8.640888     -3.473824      3.993207
  C      -9.711617     -3.401099      3.086469
  C     -10.779930     -2.529801      3.295921
  C     -10.801081     -1.708780      4.427583
  C      -9.749720     -1.778694      5.341890
  C      -8.679345     -2.652803      5.127489
  C      -3.313301     -6.495620      8.029599
  N      -2.944074     -5.086694      7.996056
  C      -1.917573     -4.702124      7.029004
  C      -0.506835     -5.045945      7.561748
  C      -0.128265     -4.180439      8.733316
  C      -0.312599     -4.617548     10.051396
  C       0.009419     -3.793528     11.131374
  C       0.519317     -2.511961     10.908696
  C       0.707032     -2.063355      9.598963
  C       0.386268     -2.892943      8.523200
  H       0.391272     -3.499010      1.846431
  H       1.169202     -1.895602      1.807004
  H      -0.064200     -2.295158      0.603548
  H      -0.526945     -1.951146      3.497174
  H      -2.715466     -1.663434      3.175510
  H      -2.305793     -2.329705      0.205557
  H      -2.499346     -0.723762      0.912300
  H      -4.700038     -0.827454      2.752891
  H      -7.154418     -1.033195      2.552173
  H      -8.163794     -2.252453      0.630385
  H      -6.676572     -3.292724     -1.087266
  H      -4.210062     -3.090494     -0.878298
  H      -7.971618     -6.638684      6.912634
  H      -8.745754     -5.984481      5.464357
  H      -7.410376     -7.156807      5.303653
  H      -6.086817     -5.341651      6.574640
  H      -6.087077     -3.487610      5.014931
  H      -6.985314     -4.014270      2.765023
  H      -7.884998     -5.382013      3.406826
  H      -9.698768     -4.037240      2.197008
  H     -11.598535     -2.492031      2.574179
  H     -11.634068     -1.024081      4.596489
  H      -9.758666     -1.149147      6.233877
  H      -7.879458     -2.710856      5.865159
  H      -2.458017     -7.111722      8.345555
  H      -3.677806     -6.890222      7.059085
  H      -4.109015     -6.638794      8.774385
  H      -3.775793     -4.522373      7.810648
  H      -1.983019     -3.607361      6.967267
  H       0.214005     -4.893038      6.743980
  H      -0.453330     -6.106296      7.848509
  H      -0.720351     -5.614846     10.230143
  H      -0.141356     -4.152570     12.151176
  H       0.770502     -1.865611     11.751483
  H       1.107501     -1.064591      9.415226
  H       0.535948     -2.537416      7.500149
  N      -3.697382     -2.827683      5.193180
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000135892195
  N      -2.466489     -3.644493      2.698619
  C      -2.250106     -4.603175      1.610486
  C      -1.900083     -5.981205      2.162902
  N      -2.862945     -6.370417      3.200095
  C      -4.170422     -6.793417      2.688882
  C      -5.266706     -6.474909      3.700981
  N      -5.149365     -5.098534      4.189255
  Mo     -3.356757     -4.250601      4.372448
  N      -2.159855     -5.195838      5.647158
  C      -1.477052     -6.426083      5.238340
  C      -2.320717     -7.233261      4.254428
  H      -1.268365     -7.073779      6.103877
  H      -0.493377     -6.192650      4.785400
  H      -3.174437     -7.661448      4.799096
  H      -1.732018     -8.074369      3.837809
  H      -6.236519     -6.634631      3.201864
  H      -5.230346     -7.195187      4.541227
  H      -4.369592     -6.223565      1.769857
  H      -4.181130     -7.870431      2.427692
  H      -1.429673     -4.286985      0.948805
  H      -3.150277     -4.667630      0.969039
  H      -0.907691     -5.931652      2.634884
  H      -1.848867     -6.727498      1.345467
  C       0.215947     -2.424925      1.666918
  N      -0.793779     -1.805217      2.521436
  C      -2.190907     -2.221602      2.390284
  C      -2.773852     -1.778755      1.036768
  C      -4.272566     -1.941690      0.943736
  C      -5.126269     -1.372664      1.902491
  C      -6.511929     -1.488510      1.789435
  C      -7.076244     -2.179741      0.712481
  C      -6.240873     -2.759301     -0.243697
  C      -4.852513     -2.640240     -0.124461
  C      -7.769782     -6.289558      5.902648
  N      -6.872631     -5.141850      5.969935
  C      -6.392480     -4.509588      4.744171
  C      -7.486731     -4.398117      3.678573
  C      -8.640372     -3.474483      3.997983
  C      -9.715603     -3.405831      3.096222
  C     -10.781087     -2.530917      3.304974
  C     -10.794686     -1.701382      4.430575
  C      -9.737956     -1.766698      5.339379
  C      -8.670855     -2.644927      5.126229
  C      -3.312091     -6.503899      8.023225
  N      -2.948463     -5.093318      7.992723
  C      -1.922130     -4.703083      7.027766
  C      -0.510877     -5.044769      7.559800
  C      -0.134128     -4.179718      8.732380
  C      -0.335354     -4.611913     10.049576
  C      -0.015440     -3.788018     11.130403
  C       0.509468     -2.512311     10.908984
  C       0.714541     -2.069141      9.600094
  C       0.395149     -2.898107      8.523485
  H       0.392834     -3.502004      1.855369
  H       1.171455     -1.901118      1.813625
  H      -0.059218     -2.302683      0.609792
  H      -0.529812     -1.940277      3.499735
  H      -2.714991     -1.659833      3.174126
  H      -2.300199     -2.321141      0.205395
  H      -2.504419     -0.717471      0.913752
  H      -4.704166     -0.832377      2.752983
  H      -7.157164     -1.048203      2.552018
  H      -8.160646     -2.268631      0.627802
  H      -6.669018     -3.301255     -1.089808
  H      -4.203351     -3.090223     -0.880782
  H      -7.961270     -6.633388      6.928760
  H      -8.738906     -5.987139      5.479219
  H      -7.401769     -7.157591      5.320614
  H      -6.077575     -5.334759      6.579336
  H      -6.086857     -3.487276      5.012496
  H      -6.991923     -4.027217      2.766535
  H      -7.891896     -5.389073      3.420519
  H      -9.710073     -4.048413      2.211324
  H     -11.603500     -2.497177      2.587293
  H     -11.625810     -1.014332      4.599050
  H      -9.740025     -1.129965      6.226376
  H      -7.866621     -2.698593      5.859841
  H      -2.453341     -7.115194      8.339482
  H      -3.673238     -6.898634      7.051665
  H      -4.107256     -6.650804      8.767423
  H      -3.781956     -4.531792      7.806903
  H      -1.991055     -3.608446      6.969073
  H       0.210007     -4.890804      6.742480
  H      -0.454698     -6.104929      7.846756
  H      -0.754471     -5.604570     10.228256
  H      -0.179464     -4.142743     12.149992
  H       0.759362     -1.866591     11.752553
  H       1.126921     -1.075106      9.416899
  H       0.557790     -2.546196      7.501264
  N      -3.700377     -2.826025      5.191311
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000163320294
  N      -2.468529     -3.641498      2.698697
  C      -2.252333     -4.598978      1.608864
  C      -1.901972     -5.977573      2.158552
  N      -2.863627     -6.366478      3.196843
  C      -4.171041     -6.790759      2.686077
  C      -5.265883     -6.475461      3.700814
  N      -5.149612     -5.099410      4.189690
  Mo     -3.357782     -4.249813      4.371953
  N      -2.162297     -5.196994      5.646268
  C      -1.477611     -6.426229      5.235241
  C      -2.320004     -7.231580      4.248783
  H      -1.269745     -7.075713      6.099852
  H      -0.493752     -6.190286      4.784188
  H      -3.172989     -7.662712      4.792229
  H      -1.730665     -8.070575      3.828714
  H      -6.237048     -6.636469      3.205242
  H      -5.224535     -7.196356      4.540258
  H      -4.372216     -6.217886      1.769317
  H      -4.180583     -7.866951      2.421708
  H      -1.432700     -4.282127      0.946773
  H      -3.153636     -4.662262      0.969079
  H      -0.908572     -5.929671      2.628656
  H      -1.853034     -6.723423      1.340556
  C       0.217365     -2.424426      1.678088
  N      -0.796455     -1.802838      2.525222
  C      -2.192797     -2.219095      2.390294
  C      -2.774080     -1.774903      1.036412
  C      -4.271643     -1.939842      0.941846
  C      -5.126019     -1.369968      1.899080
  C      -6.511356     -1.489162      1.786368
  C      -7.074062     -2.184762      0.711636
  C      -6.237408     -2.764538     -0.243180
  C      -4.849243     -2.641993     -0.124660
  C      -7.763616     -6.288259      5.914139
  N      -6.868665     -5.138788      5.974238
  C      -6.392425     -4.510157      4.745090
  C      -7.489151     -4.403988      3.681748
  C      -8.640499     -3.476842      3.999383
  C      -9.717139     -3.410272      3.099653
  C     -10.780661     -2.532626      3.306955
  C     -10.790785     -1.698216      4.428973
  C      -9.731966     -1.761194      5.335558
  C      -8.667013     -2.642160      5.124078
  C      -3.313081     -6.510662      8.019065
  N      -2.952996     -5.098780      7.991020
  C      -1.925459     -4.706416      7.027830
  C      -0.514479     -5.048633      7.560328
  C      -0.137442     -4.181300      8.731605
  C      -0.346864     -4.607407     10.049396
  C      -0.025818     -3.781483     11.128595
  C       0.508208     -2.509967     10.904801
  C       0.721402     -2.072900      9.595237
  C       0.401064     -2.903818      8.520323
  H       0.394322     -3.500819      1.870770
  H       1.172411     -1.899826      1.826142
  H      -0.054503     -2.306602      0.619690
  H      -0.536868     -1.931764      3.505171
  H      -2.718070     -1.657464      3.173580
  H      -2.297775     -2.314759      0.205177
  H      -2.507022     -0.713524      0.914995
  H      -4.705629     -0.826867      2.747918
  H      -7.157754     -1.048974      2.547958
  H      -8.158613     -2.278007      0.627726
  H      -6.664541     -3.310436     -1.087422
  H      -4.199541     -3.091988     -0.880129
  H      -7.954012     -6.626888      6.941828
  H      -8.733384     -5.990117      5.490087
  H      -7.393606     -7.158305      5.336513
  H      -6.071085     -5.327798      6.581699
  H      -6.087968     -3.486829      5.010222
  H      -6.996831     -4.038152      2.766518
  H      -7.895887     -5.395775      3.429939
  H      -9.714984     -4.056445      2.217391
  H     -11.604349     -2.500250      2.590846
  H     -11.620850     -1.009639      4.596315
  H      -9.730632     -1.119982      6.219428
  H      -7.860422     -2.693121      5.855438
  H      -2.451171     -7.118085      8.334504
  H      -3.671622     -6.905120      7.046518
  H      -4.107640     -6.660542      8.762802
  H      -3.786820     -4.538373      7.803120
  H      -1.994976     -3.611861      6.970654
  H       0.206419     -4.897335      6.742697
  H      -0.457967     -6.108038      7.850656
  H      -0.772645     -5.596843     10.230388
  H      -0.195687     -4.131469     12.148797
  H       0.759297     -1.863206     11.747286
  H       1.140653     -1.082083      9.409527
  H       0.570267     -2.556418      7.497672
  N      -3.701242     -2.825703      5.192662
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000194561097
  N      -2.471462     -3.635573      2.701963
  C      -2.253899     -4.590425      1.609655
  C      -1.903220     -5.970109      2.155477
  N      -2.864440     -6.361260      3.193069
  C      -4.171731     -6.785625      2.681144
  C      -5.265576     -6.475852      3.698759
  N      -5.150833     -5.101197      4.190944
  Mo     -3.360401     -4.249134      4.373760
  N      -2.165401     -5.199828      5.646263
  C      -1.479747     -6.428040      5.232361
  C      -2.319896     -7.230239      4.241485
  H      -1.273989     -7.080707      6.095276
  H      -0.494742     -6.190201      4.784934
  H      -3.172460     -7.665974      4.781974
  H      -1.729076     -8.066030      3.817118
  H      -6.238069     -6.637747      3.206496
  H      -5.219050     -7.198908      4.536093
  H      -4.374609     -6.208022      1.767665
  H      -4.180053     -7.860465      2.411506
  H      -1.434950     -4.270548      0.948332
  H      -3.155580     -4.652716      0.970388
  H      -0.909429     -5.923430      2.625041
  H      -1.854833     -6.714787      1.336232
  C       0.216777     -2.420768      1.693298
  N      -0.800251     -1.797431      2.534854
  C      -2.195694     -2.213111      2.395761
  C      -2.774587     -1.766926      1.041437
  C      -4.271586     -1.939164      0.942819
  C      -5.130399     -1.370235      1.896928
  C      -6.514823     -1.497069      1.782358
  C      -7.071740     -2.199936      0.709762
  C      -6.230547     -2.779132     -0.241577
  C      -4.843282     -2.648978     -0.121609
  C      -7.758070     -6.291500      5.922066
  N      -6.867616     -5.138270      5.977477
  C      -6.393882     -4.511941      4.746314
  C      -7.491946     -4.408869      3.684456
  C      -8.641274     -3.478385      4.000669
  C      -9.717869     -3.411070      3.101258
  C     -10.778754     -2.529571      3.306686
  C     -10.786145     -1.692335      4.426433
  C      -9.726863     -1.755910      5.332845
  C      -8.664633     -2.640483      5.123290
  C      -3.318739     -6.514380      8.016602
  N      -2.958598     -5.101975      7.990124
  C      -1.928557     -4.711512      7.028366
  C      -0.518946     -5.057859      7.562420
  C      -0.138274     -4.185783      8.729177
  C      -0.359345     -4.599125     10.049151
  C      -0.034734     -3.768336     11.123490
  C       0.514520     -2.504597     10.892698
  C       0.739226     -2.080081      9.580797
  C       0.415340     -2.915906      8.510890
  H       0.390730     -3.497147      1.887603
  H       1.171764     -1.898581      1.846134
  H      -0.049654     -2.304473      0.633706
  H      -0.544345     -1.921417      3.516094
  H      -2.722525     -1.653426      3.179673
  H      -2.292917     -2.301776      0.209877
  H      -2.512394     -0.703654      0.924254
  H      -4.714273     -0.820649      2.743667
  H      -7.165002     -1.057100      2.541035
  H      -8.155403     -2.299596      0.624818
  H      -6.653392     -3.330936     -1.084016
  H      -4.190202     -3.097492     -0.874986
  H      -7.950212     -6.624825      6.951571
  H      -8.728231     -5.999838      5.493675
  H      -7.382183     -7.163067      5.350506
  H      -6.067864     -5.321350      6.583803
  H      -6.090448     -3.488159      5.010299
  H      -7.001350     -4.046679      2.766942
  H      -7.900753     -5.400894      3.437054
  H      -9.717956     -4.059077      2.220377
  H     -11.602512     -2.495570      2.590542
  H     -11.614577     -1.001206      4.591961
  H      -9.722892     -1.111709      6.214513
  H      -7.856655     -2.690864      5.853431
  H      -2.455462     -7.119643      8.332736
  H      -3.674235     -6.908649      7.042963
  H      -4.114822     -6.665320      8.758051
  H      -3.791247     -4.540999      7.799424
  H      -1.994894     -3.616578      6.971807
  H       0.202469     -4.913742      6.744060
  H      -0.465860     -6.115854      7.859372
  H      -0.796926     -5.582445     10.235711
  H      -0.213664     -4.108468     12.145574
  H       0.768570     -1.854600     11.731690
  H       1.169781     -1.095233      9.388857
  H       0.593800     -2.578315      7.486515
  N      -3.703507     -2.827216      5.198088
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000231459192
  N      -2.475380     -3.628969      2.705914
  C      -2.255569     -4.581105      1.611311
  C      -1.904183     -5.961725      2.153758
  N      -2.865779     -6.356733      3.188985
  C      -4.173100     -6.779580      2.674662
  C      -5.266350     -6.476399      3.694799
  N      -5.153422     -5.103588      4.191983
  Mo     -3.364558     -4.249400      4.376375
  N      -2.170201     -5.204563      5.646609
  C      -1.484356     -6.431879      5.230320
  C      -2.321142     -7.230695      4.233556
  H      -1.281557     -7.088201      6.091587
  H      -0.497419     -6.193081      4.787558
  H      -3.173593     -7.672470      4.769402
  H      -1.727670     -8.062416      3.804934
  H      -6.239737     -6.639066      3.204809
  H      -5.215548     -7.202434      4.529341
  H      -4.376826     -6.196554      1.764769
  H      -4.180745     -7.852839      2.398743
  H      -1.437392     -4.256783      0.951389
  H      -3.156740     -4.643397      0.971267
  H      -0.910763     -5.915161      2.624356
  H      -1.854387     -6.705037      1.333200
  C       0.216597     -2.417739      1.713541
  N      -0.803897     -1.790893      2.548202
  C      -2.198589     -2.205460      2.403437
  C      -2.773098     -1.756868      1.047817
  C      -4.268862     -1.933673      0.943824
  C      -5.131443     -1.363325      1.893578
  C      -6.514783     -1.499620      1.778796
  C      -7.066433     -2.214006      0.711132
  C      -6.221011     -2.793111     -0.236465
  C      -4.834747     -2.652561     -0.116964
  C      -7.749796     -6.296595      5.931454
  N      -6.867545     -5.136773      5.980548
  C      -6.396916     -4.514135      4.746418
  C      -7.496512     -4.414927      3.686101
  C      -8.644637     -3.481774      4.000596
  C      -9.720976     -3.414045      3.101286
  C     -10.779706     -2.529460      3.305210
  C     -10.784905     -1.689908      4.423059
  C      -9.725593     -1.753590      5.329426
  C      -8.665605     -2.641032      5.121424
  C      -3.327140     -6.516911      8.015450
  N      -2.965165     -5.104639      7.989473
  C      -1.932683     -4.718073      7.028510
  C      -0.524938     -5.069630      7.564169
  C      -0.138277     -4.191208      8.724292
  C      -0.373197     -4.587011     10.047299
  C      -0.043079     -3.749603     11.114758
  C       0.525642     -2.496299     10.874407
  C       0.763897     -2.088897      9.559349
  C       0.434563     -2.931583      8.496441
  H       0.384453     -3.494842      1.910467
  H       1.172433     -1.899540      1.874065
  H      -0.041304     -2.302166      0.651799
  H      -0.552612     -1.910166      3.531118
  H      -2.727725     -1.648151      3.187660
  H      -2.286910     -2.286489      0.215827
  H      -2.513530     -0.692655      0.936190
  H      -4.719090     -0.806199      2.736906
  H      -7.168341     -1.059129      2.534155
  H      -8.149443     -2.322645      0.627313
  H      -6.639752     -3.353639     -1.075074
  H      -4.178646     -3.100919     -0.867573
  H      -7.941685     -6.623779      6.962879
  H      -8.721013     -6.014936      5.499310
  H      -7.366332     -7.169385      5.367278
  H      -6.065115     -5.311519      6.586070
  H      -6.094666     -3.489429      5.007872
  H      -7.008052     -4.056866      2.765787
  H      -7.907279     -5.407420      3.443899
  H      -9.722499     -4.063862      2.221829
  H     -11.603505     -2.494279      2.589487
  H     -11.611897     -0.996787      4.587039
  H      -9.719947     -1.107301      6.209621
  H      -7.856928     -2.691467      5.851167
  H      -2.464100     -7.121773      8.333277
  H      -3.679788     -6.911230      7.040675
  H      -4.126081     -6.667784      8.753860
  H      -3.796049     -4.541883      7.795976
  H      -1.994120     -3.622964      6.971796
  H       0.196655     -4.935092      6.744409
  H      -0.477278     -6.125548      7.869309
  H      -0.826144     -5.561949     10.241006
  H      -0.232926     -4.076283     12.139197
  H       0.783951     -1.841558     11.708379
  H       1.209013     -1.112097      9.359220
  H       0.623889     -2.607657      7.469639
  N      -3.706363     -2.829192      5.204531
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000269353608
  N      -2.479072     -3.620491      2.711293
  C      -2.257481     -4.569690      1.614614
  C      -1.904899     -5.951068      2.154147
  N      -2.867605     -6.350984      3.186045
  C      -4.175159     -6.770279      2.668695
  C      -5.268136     -6.473012      3.690566
  N      -5.156352     -5.102324      4.193582
  Mo     -3.368240     -4.247954      4.380548
  N      -2.174185     -5.208758      5.647410
  C      -1.489913     -6.435574      5.229029
  C      -2.323880     -7.230459      4.226568
  H      -1.290204     -7.095276      6.088568
  H      -0.500930     -6.197433      4.790191
  H      -3.176559     -7.677927      4.757363
  H      -1.727714     -8.058274      3.794294
  H      -6.241767     -6.635395      3.200970
  H      -5.215607     -7.202411      4.522050
  H      -4.378511     -6.182218      1.761993
  H      -4.182984     -7.842001      2.386708
  H      -1.439858     -4.240900      0.956166
  H      -3.157571     -4.632176      0.973042
  H      -0.912606     -5.903600      2.627162
  H      -1.851902     -6.692438      1.331979
  C       0.215508     -2.411308      1.737933
  N      -0.809433     -1.779514      2.563321
  C      -2.202887     -2.195141      2.412730
  C      -2.772867     -1.746078      1.055051
  C      -4.267603     -1.930826      0.944032
  C      -5.137148     -1.359000      1.886830
  C      -6.518993     -1.507712      1.770138
  C      -7.061936     -2.235836      0.707484
  C      -6.209847     -2.815683     -0.233606
  C      -4.825363     -2.662443     -0.112337
  C      -7.739862     -6.299516      5.939922
  N      -6.868278     -5.131211      5.983783
  C      -6.400307     -4.512768      4.746535
  C      -7.501341     -4.417932      3.687621
  C      -8.649553     -3.483716      4.000105
  C      -9.725177     -3.416515      3.099875
  C     -10.782900     -2.529960      3.301319
  C     -10.787647     -1.688301      4.417498
  C      -9.729347     -1.751529      5.325138
  C      -8.670304     -2.640736      5.119391
  C      -3.335988     -6.519560      8.014771
  N      -2.969935     -5.108203      7.989825
  C      -1.935399     -4.725279      7.029540
  C      -0.529430     -5.083402      7.566305
  C      -0.134983     -4.199537      8.719640
  C      -0.384588     -4.576448     10.045649
  C      -0.046859     -3.732918     11.105737
  C       0.544432     -2.491969     10.855528
  C       0.797331     -2.103227      9.537484
  C       0.460381     -2.952253      8.481953
  H       0.377676     -3.488619      1.940670
  H       1.171524     -1.895354      1.906238
  H      -0.032394     -2.298590      0.673313
  H      -0.563194     -1.892018      3.548328
  H      -2.736216     -1.640723      3.196111
  H      -2.280481     -2.270180      0.223245
  H      -2.517422     -0.679930      0.949080
  H      -4.730515     -0.791544      2.726296
  H      -7.177940     -1.065936      2.520062
  H      -8.143432     -2.354022      0.622867
  H      -6.621835     -3.386818     -1.068210
  H      -4.164094     -3.111396     -0.858075
  H      -7.931878     -6.621076      6.973364
  H      -8.712373     -6.029610      5.502738
  H      -7.347177     -7.172985      5.383305
  H      -6.063568     -5.296570      6.588927
  H      -6.099213     -3.486867      5.004584
  H      -7.014868     -4.063935      2.764635
  H      -7.913145     -5.411302      3.450516
  H      -9.726337     -4.068009      2.221624
  H     -11.606134     -2.494308      2.584820
  H     -11.613639     -0.993319      4.578994
  H      -9.723724     -1.103692      6.204097
  H      -7.862277     -2.690968      5.849709
  H      -2.475578     -7.127130      8.334543
  H      -3.687197     -6.913037      7.038998
  H      -4.138454     -6.669457      8.749822
  H      -3.798860     -4.543026      7.795091
  H      -1.991447     -3.629754      6.974086
  H       0.192404     -4.958747      6.745226
  H      -0.489436     -6.137801      7.878213
  H      -0.855385     -5.541331     10.246340
  H      -0.248412     -4.044955     12.132364
  H       0.808435     -1.832588     11.684009
  H       1.259881     -1.136225      9.329375
  H       0.661508     -2.643544      7.452632
  N      -3.707318     -2.829470      5.212439
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000305120981
  N      -2.482285     -3.614290      2.716080
  C      -2.257342     -4.560951      1.618253
  C      -1.904954     -5.943152      2.156096
  N      -2.870713     -6.347430      3.183375
  C      -4.178073     -6.762205      2.661972
  C      -5.272280     -6.468873      3.683460
  N      -5.161103     -5.100215      4.192699
  Mo     -3.373217     -4.246956      4.383063
  N      -2.178881     -5.211513      5.647198
  C      -1.497498     -6.438979      5.228714
  C      -2.329948     -7.230678      4.222188
  H      -1.300946     -7.100440      6.087636
  H      -0.506631     -6.203439      4.792321
  H      -3.183769     -7.680720      4.748943
  H      -1.732078     -8.056784      3.789055
  H      -6.244887     -6.629481      3.191087
  H      -5.221884     -7.201790      4.511885
  H      -4.379049     -6.170386      1.757280
  H      -4.186748     -7.832764      2.375257
  H      -1.438063     -4.229374      0.963053
  H      -3.154654     -4.622994      0.972841
  H      -0.914891     -5.894824      2.633606
  H      -1.847075     -6.682093      1.332120
  C       0.216193     -2.408403      1.762872
  N      -0.812460     -1.771199      2.579746
  C      -2.205206     -2.186916      2.422671
  C      -2.769484     -1.735708      1.063017
  C      -4.263042     -1.925730      0.945427
  C      -5.138660     -1.353723      1.882484
  C      -6.518925     -1.513439      1.764796
  C      -7.054520     -2.253230      0.706385
  C      -6.196636     -2.831477     -0.230294
  C      -4.813855     -2.666339     -0.108099
  C      -7.729707     -6.302824      5.946765
  N      -6.870270     -5.125193      5.985730
  C      -6.405418     -4.510907      4.745064
  C      -7.508264     -4.420242      3.687624
  C      -8.657393     -3.486400      3.998534
  C      -9.733071     -3.421385      3.097868
  C     -10.792001     -2.536128      3.298435
  C     -10.797787     -1.693461      4.413916
  C      -9.739782     -1.754319      5.321845
  C      -8.679503     -2.642448      5.116977
  C      -3.344886     -6.516061      8.015999
  N      -2.972259     -5.106739      7.990127
  C      -1.937164     -4.728727      7.028818
  C      -0.532412     -5.093067      7.565041
  C      -0.129392     -4.205821      8.712516
  C      -0.395061     -4.564807     10.040597
  C      -0.049707     -3.716853     11.094569
  C       0.565886     -2.489405     10.836464
  C       0.835197     -2.118712      9.516496
  C       0.490222     -2.972129      8.466931
  H       0.370508     -3.486660      1.967867
  H       1.173179     -1.896937      1.940815
  H      -0.020607     -2.294148      0.695524
  H      -0.571247     -1.878055      3.566780
  H      -2.742994     -1.635067      3.204595
  H      -2.271927     -2.255258      0.231538
  H      -2.516077     -0.668418      0.962829
  H      -4.736829     -0.779132      2.719424
  H      -7.182349     -1.072249      2.511000
  H      -8.135143     -2.381468      0.622171
  H      -6.602698     -3.411308     -1.061718
  H      -4.148078     -3.115364     -0.849821
  H      -7.918749     -6.621434      6.981552
  H      -8.704459     -6.044638      5.507784
  H      -7.328971     -7.175354      5.394753
  H      -6.063472     -5.280384      6.591162
  H      -6.105069     -3.483732      4.999177
  H      -7.023527     -4.069608      2.762259
  H      -7.919936     -5.414836      3.454953
  H      -9.732842     -4.074139      2.220537
  H     -11.615424     -2.502472      2.582216
  H     -11.624387     -0.999118      4.574641
  H      -9.735640     -1.106289      6.200653
  H      -7.872466     -2.692106      5.848316
  H      -2.489789     -7.128922      8.340010
  H      -3.695474     -6.909466      7.039697
  H      -4.151573     -6.661574      8.747863
  H      -3.799167     -4.538041      7.796209
  H      -1.987918     -3.633054      6.973865
  H       0.189124     -4.977149      6.742475
  H      -0.500575     -6.146279      7.881316
  H      -0.885339     -5.518616     10.246446
  H      -0.264464     -4.014681     12.122706
  H       0.835589     -1.826368     11.660233
  H       1.317008     -1.162555      9.302611
  H       0.703892     -2.678012      7.435837
  N      -3.709752     -2.828986      5.216776
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000337671940
  N      -2.484957     -3.608459      2.720128
  C      -2.258273     -4.553313      1.621730
  C      -1.905377     -5.935995      2.158421
  N      -2.873634     -6.343946      3.182133
  C      -4.180927     -6.754110      2.657606
  C      -5.276602     -6.461761      3.677682
  N      -5.164899     -5.094529      4.191499
  Mo     -3.375602     -4.245021      4.385411
  N      -2.180605     -5.212721      5.646938
  C      -1.503061     -6.441634      5.228682
  C      -2.336121     -7.229938      4.219905
  H      -1.309317     -7.104057      6.087288
  H      -0.510891     -6.209761      4.793007
  H      -3.191466     -7.679740      4.744361
  H      -1.738330     -8.056123      3.786791
  H      -6.247828     -6.619445      3.181327
  H      -5.230512     -7.197374      4.503901
  H      -4.378857     -6.160367      1.753571
  H      -4.191238     -7.824045      2.368377
  H      -1.437597     -4.221149      0.968224
  H      -3.153762     -4.614773      0.973865
  H      -0.917286     -5.886373      2.639774
  H      -1.842934     -6.672443      1.332682
  C       0.215493     -2.402878      1.788406
  N      -0.818715     -1.759689      2.593426
  C      -2.209696     -2.179292      2.430008
  C      -2.769086     -1.728060      1.067910
  C      -4.261337     -1.924364      0.943624
  C      -5.144265     -1.351146      1.873112
  C      -6.523023     -1.521249      1.752669
  C      -7.049971     -2.272066      0.697659
  C      -6.185304     -2.850317     -0.232684
  C      -4.804316     -2.674606     -0.107383
  C      -7.719038     -6.300385      5.954361
  N      -6.870838     -5.114385      5.988498
  C      -6.409120     -4.505225      4.743868
  C      -7.514370     -4.420506      3.688431
  C      -8.664516     -3.487660      3.997498
  C      -9.740256     -3.425780      3.096142
  C     -10.801172     -2.542733      3.295163
  C     -10.809066     -1.698935      4.409939
  C      -9.751559     -1.756888      5.318510
  C      -8.689153     -2.643074      5.115045
  C      -3.350393     -6.514709      8.015783
  N      -2.971343     -5.107423      7.990648
  C      -1.936241     -4.731206      7.028812
  C      -0.532079     -5.100561      7.563954
  C      -0.122232     -4.212370      8.708082
  C      -0.402221     -4.558088     10.036995
  C      -0.049634     -3.708675     11.087351
  C       0.588093     -2.493394     10.824913
  C       0.872118     -2.136333      9.504406
  C       0.519556     -2.990981      8.458247
  H       0.364837     -3.480861      1.998982
  H       1.172248     -1.892854      1.973489
  H      -0.010712     -2.290530      0.718269
  H      -0.583498     -1.858689      3.582852
  H      -2.753593     -1.629543      3.208865
  H      -2.265566     -2.244319      0.237869
  H      -2.518697     -0.659573      0.971506
  H      -4.748041     -0.768509      2.707590
  H      -7.191687     -1.079165      2.493580
  H      -8.128925     -2.407501      0.611117
  H      -6.584263     -3.437865     -1.061820
  H      -4.132908     -3.124412     -0.843766
  H      -7.904995     -6.616759      6.990451
  H      -8.696074     -6.052688      5.514125
  H      -7.311052     -7.171815      5.405825
  H      -6.062162     -5.260505      6.593694
  H      -6.109858     -3.476464      4.992987
  H      -7.031796     -4.073984      2.760431
  H      -7.924882     -5.416878      3.461158
  H      -9.737975     -4.079786      2.219672
  H     -11.624536     -2.512135      2.578491
  H     -11.636777     -1.005649      4.569654
  H      -9.749592     -1.108561      6.196987
  H      -7.883456     -2.691439      5.847582
  H      -2.501078     -7.133843      8.342791
  H      -3.701539     -6.906699      7.039068
  H      -4.159662     -6.655816      8.745997
  H      -3.796576     -4.535489      7.798994
  H      -1.984181     -3.635409      6.975650
  H       0.189237     -4.990739      6.740452
  H      -0.507491     -6.153431      7.881683
  H      -0.909978     -5.501986     10.245303
  H      -0.275785     -3.995794     12.116038
  H       0.863518     -1.828914     11.645686
  H       1.371931     -1.190071      9.288047
  H       0.744659     -2.708057      7.426429
  N      -3.709316     -2.827213      5.220134
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000364789550
  N      -2.487537     -3.605115      2.723777
  C      -2.256815     -4.548333      1.625264
  C      -1.905458     -5.931893      2.160895
  N      -2.877299     -6.342326      3.180465
  C      -4.183698     -6.749068      2.652249
  C      -5.282113     -6.456348      3.669492
  N      -5.169864     -5.090409      4.187469
  Mo     -3.379237     -4.244265      4.385910
  N      -2.182840     -5.212523      5.645913
  C      -1.508947     -6.443509      5.228559
  C      -2.344052     -7.229023      4.219288
  H      -1.317956     -7.106124      6.087461
  H      -0.515872     -6.215422      4.792887
  H      -3.201574     -7.675123      4.743304
  H      -1.748232     -8.057706      3.788054
  H      -6.251409     -6.610297      3.168039
  H      -5.241500     -7.194517      4.493605
  H      -4.377896     -6.154315      1.748146
  H      -4.195425     -7.818688      2.361777
  H      -1.432892     -4.217029      0.975136
  H      -3.149637     -4.608222      0.973818
  H      -0.919560     -5.882389      2.646535
  H      -1.838808     -6.665717      1.333255
  C       0.215764     -2.400254      1.813485
  N      -0.823212     -1.752945      2.608932
  C      -2.212751     -2.175065      2.437949
  C      -2.766723     -1.721309      1.074030
  C      -4.257778     -1.922163      0.944064
  C      -5.146494     -1.350440      1.868814
  C      -6.523857     -1.527761      1.745656
  C      -7.043946     -2.284556      0.691682
  C      -6.173868     -2.860423     -0.235033
  C      -4.794333     -2.677253     -0.106807
  C      -7.711217     -6.299646      5.959689
  N      -6.872576     -5.106782      5.989480
  C      -6.414051     -4.501640      4.741454
  C      -7.521810     -4.422019      3.688000
  C      -8.672746     -3.490108      3.995616
  C      -9.748487     -3.431085      3.093613
  C     -10.812205     -2.551611      3.292189
  C     -10.823146     -1.707991      4.407249
  C      -9.765718     -1.762916      5.315959
  C      -8.700436     -2.645924      5.113090
  C      -3.356629     -6.504797      8.017607
  N      -2.968866     -5.100269      7.990929
  C      -1.934065     -4.729255      7.026952
  C      -0.530396     -5.104433      7.559995
  C      -0.113445     -4.216845      8.701853
  C      -0.407091     -4.551406     10.030831
  C      -0.047970     -3.701912     11.078952
  C       0.610449     -2.498385     10.813890
  C       0.908761     -2.153048      9.493542
  C       0.549279     -3.007388      8.449385
  H       0.359029     -3.478805      2.024130
  H       1.172888     -1.894009      2.007277
  H      -0.000236     -2.285051      0.741314
  H      -0.593890     -1.846984      3.600254
  H      -2.762055     -1.627102      3.214139
  H      -2.257791     -2.234750      0.245426
  H      -2.518512     -0.652008      0.981460
  H      -4.755036     -0.764284      2.702877
  H      -7.196829     -1.087542      2.483791
  H      -8.122292     -2.427268      0.603670
  H      -6.567425     -3.452827     -1.063450
  H      -4.118423     -3.126273     -0.839524
  H      -7.893067     -6.615497      6.996512
  H      -8.690683     -6.060309      5.520440
  H      -7.297573     -7.169091      5.412402
  H      -6.062518     -5.244085      6.595133
  H      -6.115654     -3.471723      4.986834
  H      -7.041119     -4.078588      2.757871
  H      -7.930597     -5.420122      3.465179
  H      -9.743918     -4.085309      2.217280
  H     -11.635558     -2.524351      2.575340
  H     -11.652965     -1.017318      4.567187
  H      -9.766296     -1.114958      6.194712
  H      -7.895664     -2.692770      5.846576
  H      -2.513741     -7.130314      8.349331
  H      -3.708098     -6.896426      7.040862
  H      -4.168503     -6.637979      8.746529
  H      -3.791797     -4.523871      7.802031
  H      -1.978044     -3.633342      6.973214
  H       0.190369     -5.000200      6.735404
  H      -0.512684     -6.157182      7.878369
  H      -0.931268     -5.485740     10.240536
  H      -0.285127     -3.979788     12.107809
  H       0.891179     -1.833498     11.632670
  H       1.425376     -1.216275      9.276186
  H       0.785264     -2.733759      7.417461
  N      -3.712539     -2.826618      5.220982
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000406742429
  N      -2.496523     -3.603399      2.729165
  C      -2.263617     -4.544587      1.629435
  C      -1.911803     -5.929377      2.162262
  N      -2.882970     -6.343176      3.181166
  C      -4.189629     -6.749105      2.653822
  C      -5.287781     -6.456797      3.671876
  N      -5.174913     -5.091327      4.191063
  Mo     -3.383090     -4.247439      4.390545
  N      -2.181588     -5.215509      5.645836
  C      -1.510594     -6.447661      5.226822
  C      -2.349461     -7.230619      4.218893
  H      -1.319709     -7.111162      6.085092
  H      -0.517919     -6.221352      4.789440
  H      -3.207173     -7.673997      4.744898
  H      -1.756552     -8.061084      3.786956
  H      -6.257002     -6.608935      3.169596
  H      -5.247953     -7.196287      4.494860
  H      -4.384280     -6.153710      1.750237
  H      -4.202255     -7.818496      2.362662
  H      -1.439144     -4.212698      0.980333
  H      -3.156149     -4.603475      0.977580
  H      -0.925819     -5.880316      2.647815
  H      -1.844547     -6.660866      1.332583
  C       0.213035     -2.406220      1.856639
  N      -0.833752     -1.749362      2.633793
  C      -2.221142     -2.172898      2.449704
  C      -2.764855     -1.714244      1.082856
  C      -4.255703     -1.909927      0.942681
  C      -5.148272     -1.336335      1.862539
  C      -6.525870     -1.503659      1.727292
  C      -7.042316     -2.251907      0.665440
  C      -6.168415     -2.830432     -0.256109
  C      -4.788573     -2.657915     -0.115356
  C      -7.695197     -6.294100      5.989720
  N      -6.873801     -5.089062      6.000613
  C      -6.419541     -4.500389      4.743114
  C      -7.530132     -4.439617      3.691312
  C      -8.684558     -3.509016      3.988544
  C      -9.757380     -3.460482      3.082657
  C     -10.825143     -2.583887      3.271240
  C     -10.843636     -1.732865      4.380485
  C      -9.789093     -1.777370      5.292919
  C      -8.719333     -2.657097      5.099780
  C      -3.367227     -6.487162      8.020334
  N      -2.961256     -5.087825      7.991966
  C      -1.925185     -4.729166      7.024750
  C      -0.523548     -5.114681      7.556116
  C      -0.096721     -4.227056      8.694451
  C      -0.400902     -4.549355     10.024068
  C      -0.032814     -3.699359     11.068726
  C       0.645203     -2.507795     10.799243
  C       0.954116     -2.174782      9.478253
  C       0.585661     -3.029507      8.437508
  H       0.347908     -3.484272      2.074812
  H       1.170051     -1.904132      2.060862
  H       0.012500     -2.295173      0.781059
  H      -0.615998     -1.835156      3.628424
  H      -2.776990     -1.626699      3.222504
  H      -2.251023     -2.226756      0.256578
  H      -2.513382     -0.645416      0.995082
  H      -4.759645     -0.755016      2.701375
  H      -7.202182     -1.061321      2.461160
  H      -8.120940     -2.385958      0.567043
  H      -6.559232     -3.415734     -1.090961
  H      -4.109536     -3.107110     -0.845018
  H      -7.877448     -6.593518      7.031339
  H      -8.675950     -6.076861      5.541884
  H      -7.266173     -7.167152      5.460467
  H      -6.066288     -5.199875      6.614756
  H      -6.125135     -3.466171      4.974520
  H      -7.052674     -4.106460      2.755933
  H      -7.934335     -5.442524      3.482391
  H      -9.747116     -4.120520      2.210837
  H     -11.645738     -2.564872      2.551124
  H     -11.676903     -1.044703      4.533056
  H      -9.795336     -1.123254      6.167023
  H      -7.916699     -2.695465      5.836064
  H      -2.533078     -7.123796      8.352899
  H      -3.724003     -6.874710      7.044089
  H      -4.179762     -6.607772      8.750398
  H      -3.777057     -4.500616      7.806724
  H      -1.960556     -3.633065      6.967284
  H       0.196538     -5.019621      6.729940
  H      -0.514829     -6.166656      7.877735
  H      -0.940416     -5.474110     10.237099
  H      -0.278200     -3.967440     12.098251
  H       0.933108     -1.842417     11.615161
  H       1.485959     -1.247272      9.257875
  H       0.829770     -2.765435      7.405027
  N      -3.716364     -2.832130      5.229546
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000170964670
  N      -2.509165     -3.591255      2.750876
  C      -2.271709     -4.525071      1.645808
  C      -1.915353     -5.914104      2.166976
  N      -2.882576     -6.339311      3.185526
  C      -4.190259     -6.743124      2.661956
  C      -5.289445     -6.447482      3.680071
  N      -5.171090     -5.083283      4.202159
  Mo     -3.373007     -4.252954      4.409976
  N      -2.154571     -5.221164      5.647997
  C      -1.492750     -6.456512      5.220488
  C      -2.347370     -7.229287      4.219063
  H      -1.300704     -7.123870      6.075565
  H      -0.502851     -6.234425      4.775503
  H      -3.205544     -7.659925      4.754732
  H      -1.767766     -8.067803      3.784140
  H      -6.257276     -6.589955      3.172094
  H      -5.257372     -7.190926      4.499948
  H      -4.385079     -6.147295      1.758606
  H      -4.206862     -7.812321      2.370924
  H      -1.448913     -4.190957      0.995889
  H      -3.167217     -4.581808      0.997992
  H      -0.927402     -5.867397      2.648891
  H      -1.849198     -6.636871      1.329542
  C       0.169907     -2.357295      1.928566
  N      -0.897862     -1.692183      2.669155
  C      -2.271542     -2.156411      2.480104
  C      -2.834655     -1.702893      1.118775
  C      -4.320879     -1.937881      0.991284
  C      -5.217072     -1.413430      1.936419
  C      -6.592564     -1.608354      1.809424
  C      -7.103230     -2.333028      0.728291
  C      -6.225224     -2.864898     -0.217699
  C      -4.846871     -2.669567     -0.082418
  C      -7.675183     -6.238376      6.033837
  N      -6.892339     -5.008981      6.004383
  C      -6.418748     -4.472737      4.730969
  C      -7.517330     -4.448974      3.664291
  C      -8.674212     -3.508567      3.912020
  C      -9.715579     -3.468161      2.970751
  C     -10.786822     -2.587688      3.112559
  C     -10.842267     -1.724874      4.211151
  C      -9.818501     -1.761030      5.157698
  C      -8.743734     -2.643218      5.010556
  C      -3.389435     -6.427928      8.019741
  N      -2.918975     -5.048883      7.995057
  C      -1.876145     -4.728356      7.022083
  C      -0.483719     -5.149457      7.550771
  C      -0.034032     -4.273693      8.690188
  C      -0.364520     -4.580037     10.016971
  C       0.023737     -3.740242     11.062932
  C       0.748060     -2.575764     10.796176
  C       1.083306     -2.258977      9.477956
  C       0.694831     -3.103060      8.435802
  H       0.311640     -3.428164      2.173547
  H       1.118912     -1.842853      2.135794
  H      -0.013396     -2.272011      0.847934
  H      -0.691528     -1.744232      3.668387
  H      -2.841793     -1.626231      3.253738
  H      -2.310754     -2.196704      0.286958
  H      -2.614667     -0.627463      1.036229
  H      -4.833519     -0.846863      2.787804
  H      -7.271906     -1.203054      2.561872
  H      -8.179990     -2.484909      0.632090
  H      -6.611943     -3.430055     -1.068631
  H      -4.164394     -3.079830     -0.831385
  H      -7.886370     -6.487331      7.083096
  H      -8.645315     -6.077924      5.541203
  H      -7.197745     -7.122591      5.568798
  H      -6.114142     -5.043510      6.662482
  H      -6.127398     -3.431080      4.929186
  H      -7.026541     -4.147892      2.725258
  H      -7.916788     -5.458948      3.483942
  H      -9.677362     -4.136883      2.106728
  H     -11.581122     -2.575724      2.363986
  H     -11.679639     -1.035001      4.329063
  H      -9.852589     -1.096264      6.022965
  H      -7.965094     -2.673588      5.772572
  H      -2.587108     -7.104793      8.350626
  H      -3.763979     -6.792958      7.042398
  H      -4.201750     -6.508070      8.754137
  H      -3.706885     -4.422205      7.823910
  H      -1.883630     -3.632081      6.954787
  H       0.237550     -5.073782      6.723969
  H      -0.501926     -6.201646      7.872189
  H      -0.940134     -5.483193     10.228397
  H      -0.241810     -3.995099     12.090875
  H       1.052538     -1.918067     11.612404
  H       1.651028     -1.352019      9.261091
  H       0.958775     -2.850636      7.405479
  N      -3.708127     -2.848305      5.266161
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000492597665
  N      -2.507209     -3.594127      2.736931
  C      -2.268056     -4.531069      1.635000
  C      -1.913079     -5.917157      2.162946
  N      -2.883299     -6.337867      3.179740
  C      -4.189523     -6.743406      2.651708
  C      -5.288420     -6.452989      3.670272
  N      -5.175717     -5.088339      4.192396
  Mo     -3.382054     -4.249077      4.397611
  N      -2.171750     -5.216465      5.644677
  C      -1.505150     -6.450338      5.222210
  C      -2.349669     -7.227773      4.215029
  H      -1.316339     -7.116529      6.079092
  H      -0.512378     -6.226407      4.784103
  H      -3.208202     -7.666432      4.743656
  H      -1.762254     -8.061211      3.781120
  H      -6.257071     -6.603678      3.167057
  H      -5.248434     -7.194862      4.491054
  H      -4.384649     -6.146275      1.749303
  H      -4.202311     -7.812275      2.358817
  H      -1.443526     -4.195335      0.987864
  H      -3.160355     -4.590658      0.982728
  H      -0.926894     -5.868021      2.648258
  H      -1.844201     -6.644765      1.329924
  C       0.191649     -2.394481      1.911816
  N      -0.867565     -1.721127      2.657186
  C      -2.247944     -2.161699      2.462212
  C      -2.788913     -1.708364      1.092336
  C      -4.275674     -1.925932      0.942355
  C      -5.181081     -1.380323      1.866663
  C      -6.555830     -1.563411      1.719714
  C      -7.056188     -2.299152      0.641347
  C      -6.168969     -2.851149     -0.283935
  C      -4.791814     -2.664586     -0.130658
  C      -7.668869     -6.285984      6.011988
  N      -6.876274     -5.062535      6.005989
  C      -6.420393     -4.491889      4.742242
  C      -7.533230     -4.441541      3.691285
  C      -8.685287     -3.504882      3.977846
  C      -9.748636     -3.451650      3.061702
  C     -10.814617     -2.570784      3.239725
  C     -10.841042     -1.719965      4.348824
  C      -9.795418     -1.768852      5.271121
  C      -8.727349     -2.652691      5.088565
  C      -3.384274     -6.456742      8.010949
  N      -2.947599     -5.066570      7.989160
  C      -1.906187     -4.726579      7.021369
  C      -0.510642     -5.130459      7.554783
  C      -0.074467     -4.246744      8.692977
  C      -0.395319     -4.558136     10.021119
  C      -0.019425     -3.711152     11.065528
  C       0.682971     -2.533599     10.796886
  C       1.008634     -2.211502      9.477276
  C       0.632510     -3.063220      8.436847
  H       0.318999     -3.468498      2.152850
  H       1.146498     -1.892024      2.123110
  H       0.010184     -2.303458      0.831184
  H      -0.664099     -1.784752      3.656412
  H      -2.815482     -1.621614      3.230810
  H      -2.261039     -2.211041      0.268695
  H      -2.553965     -0.635838      1.008484
  H      -4.805556     -0.807265      2.717071
  H      -7.242625     -1.142416      2.456360
  H      -8.132400     -2.443789      0.532006
  H      -6.547390     -3.426195     -1.131669
  H      -4.102128     -3.092398     -0.863087
  H      -7.862989     -6.564231      7.057288
  H      -8.646302     -6.103377      5.542020
  H      -7.208232     -7.160207      5.512217
  H      -6.081389     -5.131692      6.641522
  H      -6.126908     -3.455275      4.963042
  H      -7.056600     -4.120435      2.751208
  H      -7.939414     -5.446011      3.495149
  H      -9.732235     -4.110858      2.189499
  H     -11.627219     -2.547944      2.510890
  H     -11.673301     -1.028900      4.493500
  H      -9.807286     -1.114050      6.144697
  H      -7.931050     -2.693917      5.831595
  H      -2.564197     -7.112791      8.340906
  H      -3.747721     -6.830288      7.032084
  H      -4.198110     -6.561606      8.741398
  H      -3.749235     -4.458886      7.809960
  H      -1.926516     -3.630326      6.958655
  H       0.211983     -5.046544      6.729715
  H      -0.516092     -6.181949      7.878650
  H      -0.954014     -5.471580     10.233837
  H      -0.277808     -3.970467     12.094138
  H       0.977237     -1.870599     11.612438
  H       1.559248     -1.294695      9.257678
  H       0.889618     -2.807313      7.405570
  N      -3.718666     -2.840017      5.245960
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000512614295
  N      -2.513091     -3.593506      2.737366
  C      -2.272735     -4.529868      1.635107
  C      -1.912258     -5.914187      2.163446
  N      -2.880034     -6.337574      3.181142
  C      -4.185726     -6.746250      2.653261
  C      -5.283789     -6.460930      3.673780
  N      -5.174348     -5.096724      4.197246
  Mo     -3.383411     -4.251559      4.400486
  N      -2.169769     -5.216578      5.646091
  C      -1.500841     -6.448836      5.223100
  C      -2.342693     -7.227796      4.214614
  H      -1.311396     -7.115370      6.079657
  H      -0.507920     -6.222699      4.786393
  H      -3.199351     -7.671292      4.742258
  H      -1.752341     -8.057969      3.778574
  H      -6.253398     -6.615199      3.173355
  H      -5.238655     -7.203338      4.493742
  H      -4.383637     -6.148029      1.752214
  H      -4.195356     -7.814658      2.358574
  H      -1.450443     -4.190290      0.987222
  H      -3.165413     -4.593085      0.983639
  H      -0.925666     -5.861508      2.647659
  H      -1.841984     -6.642485      1.331116
  C       0.184429     -2.400386      1.912578
  N      -0.872836     -1.721139      2.655326
  C      -2.254230     -2.160312      2.462601
  C      -2.796745     -1.706418      1.093531
  C      -4.284038     -1.922163      0.943949
  C      -5.188165     -1.377078      1.869974
  C      -6.563095     -1.559249      1.723833
  C      -7.064726     -2.294669      0.645863
  C      -6.178735     -2.845544     -0.281276
  C      -4.801541     -2.658451     -0.129854
  C      -7.670361     -6.299776      6.009778
  N      -6.879229     -5.075416      6.006643
  C      -6.420119     -4.502049      4.746033
  C      -7.530199     -4.447719      3.692477
  C      -8.678780     -3.505350      3.975604
  C      -9.737363     -3.444139      3.054452
  C     -10.798433     -2.556390      3.228733
  C     -10.824015     -1.706292      4.338392
  C      -9.782794     -1.762582      5.265445
  C      -8.720010     -2.653548      5.086861
  C      -3.388151     -6.454888      8.008426
  N      -2.950018     -5.065088      7.989014
  C      -1.905998     -4.727207      7.023016
  C      -0.512210     -5.133233      7.559107
  C      -0.075323     -4.246907      8.694964
  C      -0.395097     -4.554740     10.024218
  C      -0.018154     -3.705235     11.066122
  C       0.684296     -2.528398     10.794196
  C       1.008945     -2.209752      9.473399
  C       0.631784     -3.064158      8.435576
  H       0.307199     -3.473860      2.159203
  H       1.140783     -1.900183      2.122826
  H       0.004039     -2.314335      0.831300
  H      -0.669384     -1.782308      3.654778
  H      -2.819793     -1.620550      3.232795
  H      -2.270178     -2.208092      0.268532
  H      -2.561182     -0.633815      1.010255
  H      -4.811726     -0.805341      2.720846
  H      -7.248936     -1.138931      2.461799
  H      -8.140970     -2.439120      0.537767
  H      -6.558200     -3.420201     -1.128681
  H      -4.112862     -3.085921     -0.863436
  H      -7.869922     -6.576744      7.054485
  H      -8.645524     -6.119313      5.534272
  H      -7.205747     -7.174022      5.513955
  H      -6.086546     -5.144391      6.644896
  H      -6.126238     -3.466380      4.970519
  H      -7.050648     -4.129275      2.753069
  H      -7.940814     -5.450449      3.495934
  H      -9.721051     -4.102333      2.181389
  H     -11.607667     -2.527062      2.496259
  H     -11.652259     -1.009664      4.479570
  H      -9.794182     -1.108371      6.139485
  H      -7.927177     -2.701010      5.833255
  H      -2.567927     -7.111564      8.336876
  H      -3.751231     -6.826258      7.028506
  H      -4.203040     -6.561374      8.737670
  H      -3.750232     -4.455937      7.807734
  H      -1.923552     -3.630984      6.959750
  H       0.211643     -5.052933      6.734652
  H      -0.519843     -6.183631      7.886403
  H      -0.953841     -5.467528     10.239576
  H      -0.275848     -3.961930     12.095523
  H       0.979197     -1.863604     11.608015
  H       1.559543     -1.293687      9.250646
  H       0.888522     -2.811185      7.403401
  N      -3.723216     -2.843712      5.249707
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000534145126
  N      -2.528078     -3.585205      2.739404
  C      -2.286221     -4.518976      1.635137
  C      -1.917150     -5.901541      2.161376
  N      -2.880527     -6.330189      3.180809
  C      -4.186116     -6.742107      2.653986
  C      -5.281885     -6.464368      3.678809
  N      -5.174896     -5.102037      4.206909
  Mo     -3.386578     -4.250618      4.406614
  N      -2.163814     -5.212626      5.645277
  C      -1.495074     -6.443907      5.219211
  C      -2.337336     -7.222115      4.210117
  H      -1.305433     -7.112175      6.074496
  H      -0.502164     -6.216665      4.783064
  H      -3.191188     -7.670068      4.738521
  H      -1.746110     -8.049181      3.769484
  H      -6.253608     -6.621304      3.183142
  H      -5.229489     -7.209425      4.495865
  H      -4.388504     -6.141153      1.755834
  H      -4.192259     -7.809482      2.355575
  H      -1.467779     -4.173527      0.985733
  H      -3.180359     -4.586414      0.986033
  H      -0.929400     -5.844682      2.642883
  H      -1.845826     -6.629234      1.328539
  C       0.168730     -2.389851      1.950350
  N      -0.899525     -1.701115      2.668269
  C      -2.277058     -2.150346      2.464937
  C      -2.811073     -1.702749      1.090717
  C      -4.294317     -1.934191      0.924465
  C      -5.214149     -1.405669      1.844691
  C      -6.585175     -1.602663      1.682426
  C      -7.066788     -2.337889      0.595252
  C      -6.164758     -2.872122     -0.326173
  C      -4.791643     -2.669034     -0.159506
  C      -7.663715     -6.321097      6.013587
  N      -6.882754     -5.090499      6.014874
  C      -6.420791     -4.510763      4.759842
  C      -7.529431     -4.447476      3.705004
  C      -8.670816     -3.495831      3.987650
  C      -9.720696     -3.414635      3.058191
  C     -10.773024     -2.516178      3.231570
  C     -10.797812     -1.674981      4.348015
  C      -9.765075     -1.751071      5.283327
  C      -8.711575     -2.653118      5.106023
  C      -3.400560     -6.437223      7.998479
  N      -2.948830     -5.051733      7.985576
  C      -1.898745     -4.724091      7.022398
  C      -0.510437     -5.141826      7.563095
  C      -0.069526     -4.256305      8.698049
  C      -0.392511     -4.559897     10.027479
  C      -0.011983     -3.710733     11.068307
  C       0.697479     -2.538316     10.795405
  C       1.025601     -2.223933      9.474353
  C       0.644780     -3.078103      8.437708
  H       0.285524     -3.459804      2.214783
  H       1.121990     -1.887454      2.168924
  H       0.005238     -2.319870      0.865166
  H      -0.708964     -1.748841      3.671102
  H      -2.851737     -1.613469      3.230268
  H      -2.270494     -2.197632      0.270725
  H      -2.586670     -0.627560      1.009438
  H      -4.853981     -0.835483      2.703410
  H      -7.283644     -1.195638      2.416005
  H      -8.140173     -2.494774      0.474953
  H      -6.528678     -3.446729     -1.180400
  H      -4.090269     -3.084538     -0.887879
  H      -7.873014     -6.595988      7.056905
  H      -8.634951     -6.151048      5.526667
  H      -7.185419     -7.192766      5.526641
  H      -6.095989     -5.151716      6.661116
  H      -6.125393     -3.477362      4.992189
  H      -7.047686     -4.131719      2.765837
  H      -7.947810     -5.446893      3.507027
  H      -9.704243     -4.064920      2.179185
  H     -11.575764     -2.470930      2.492779
  H     -11.619088     -0.969911      4.487898
  H      -9.776149     -1.104026      6.162749
  H      -7.925385     -2.717016      5.858335
  H      -2.585873     -7.102200      8.324247
  H      -3.765006     -6.799934      7.015773
  H      -4.217874     -6.540088      8.725639
  H      -3.741680     -4.433148      7.802958
  H      -1.905443     -3.627893      6.957742
  H       0.216921     -5.069556      6.740911
  H      -0.527529     -6.191030      7.893635
  H      -0.956972     -5.468909     10.243884
  H      -0.272571     -3.964108     12.097823
  H       0.995004     -1.873984     11.608624
  H       1.581688     -1.311576      9.250123
  H       0.904739     -2.828573      7.405445
  N      -3.730655     -2.846482      5.260751
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000546172767
  N      -2.540769     -3.579915      2.742988
  C      -2.293466     -4.511411      1.638044
  C      -1.920345     -5.893429      2.163057
  N      -2.882986     -6.326598      3.181422
  C      -4.188072     -6.739561      2.653983
  C      -5.283556     -6.466388      3.680444
  N      -5.177535     -5.105867      4.213110
  Mo     -3.390358     -4.251705      4.412011
  N      -2.159737     -5.211255      5.644667
  C      -1.493664     -6.443372      5.217376
  C      -2.337911     -7.219829      4.208462
  H      -1.305362     -7.112612      6.072217
  H      -0.500394     -6.217997      4.781057
  H      -3.190817     -7.668624      4.737674
  H      -1.747385     -8.046260      3.765696
  H      -6.255758     -6.622810      3.185498
  H      -5.229583     -7.214314      4.494783
  H      -4.391839     -6.136721      1.757458
  H      -4.192363     -7.806180      2.352932
  H      -1.474466     -4.162447      0.990924
  H      -3.185815     -4.580932      0.986909
  H      -0.933259     -5.833802      2.645602
  H      -1.845648     -6.619752      1.329303
  C       0.153421     -2.395510      1.981971
  N      -0.916925     -1.692342      2.682494
  C      -2.293048     -2.143792      2.472754
  C      -2.821727     -1.693775      1.097339
  C      -4.302589     -1.933245      0.921139
  C      -5.230810     -1.420121      1.841627
  C      -6.599552     -1.625530      1.670520
  C      -7.070214     -2.353445      0.573679
  C      -6.159746     -2.872266     -0.348291
  C      -4.789069     -2.661204     -0.172397
  C      -7.654554     -6.332724      6.023273
  N      -6.888019     -5.093190      6.020585
  C      -6.424713     -4.515688      4.765910
  C      -7.532420     -4.454587      3.709563
  C      -8.670532     -3.496969      3.985404
  C      -9.710384     -3.404928      3.045675
  C     -10.758427     -2.500240      3.212165
  C     -10.789056     -1.663643      4.331940
  C      -9.766768     -1.750996      5.277665
  C      -8.717523     -2.659319      5.107247
  C      -3.405793     -6.420150      7.997158
  N      -2.942892     -5.038398      7.984260
  C      -1.890138     -4.720893      7.020679
  C      -0.505508     -5.148303      7.563283
  C      -0.058433     -4.262901      8.696002
  C      -0.388356     -4.557909     10.025698
  C      -0.002011     -3.708593     11.064261
  C       0.720417     -2.544715     10.788833
  C       1.055614     -2.239006      9.467555
  C       0.668913     -3.093285      8.433145
  H       0.255381     -3.464859      2.255233
  H       1.108741     -1.900953      2.209060
  H       0.003993     -2.331322      0.894289
  H      -0.734904     -1.730980      3.687362
  H      -2.871917     -1.609566      3.236720
  H      -2.272928     -2.181114      0.278174
  H      -2.603444     -0.616894      1.022131
  H      -4.879116     -0.855776      2.707808
  H      -7.304851     -1.230385      2.404045
  H      -8.141689     -2.516206      0.445712
  H      -6.515220     -3.440826     -1.210048
  H      -4.080794     -3.064595     -0.900909
  H      -7.871614     -6.600165      7.066971
  H      -8.622654     -6.178999      5.524836
  H      -7.160680     -7.203213      5.549997
  H      -6.106402     -5.139730      6.674162
  H      -6.130236     -3.481980      4.997881
  H      -7.049399     -4.146248      2.768615
  H      -7.954019     -5.453706      3.516843
  H      -9.688814     -4.051014      2.163726
  H     -11.553115     -2.446380      2.465267
  H     -11.606823     -0.953427      4.466261
  H      -9.782644     -1.107707      6.159730
  H      -7.939614     -2.732379      5.867236
  H      -2.597003     -7.091688      8.324116
  H      -3.771570     -6.779695      7.013812
  H      -4.224773     -6.516227      8.723370
  H      -3.730267     -4.413145      7.800806
  H      -1.887984     -3.624785      6.953591
  H       0.223481     -5.084423      6.741906
  H      -0.531740     -6.196339      7.897007
  H      -0.963100     -5.459962     10.243994
  H      -0.268163     -3.955136     12.093994
  H       1.022477     -1.880264     11.600292
  H       1.622024     -1.333506      9.241356
  H       0.934664     -2.850708      7.400723
  N      -3.737332     -2.850251      5.269738
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000556634033
  N      -2.548370     -3.577669      2.747020
  C      -2.299525     -4.507704      1.641200
  C      -1.926208     -5.890420      2.164610
  N      -2.888427     -6.325066      3.183049
  C      -4.193659     -6.738216      2.656369
  C      -5.288511     -6.466232      3.683951
  N      -5.181486     -5.106695      4.218888
  Mo     -3.394379     -4.252005      4.416569
  N      -2.159753     -5.211405      5.645302
  C      -1.495336     -6.443676      5.216335
  C      -2.342112     -7.218976      4.208684
  H      -1.306446     -7.113428      6.070629
  H      -0.502631     -6.219125      4.778306
  H      -3.194228     -7.667475      4.739408
  H      -1.752718     -8.045528      3.764574
  H      -6.260952     -6.620844      3.188994
  H      -5.235269     -7.215735      4.496903
  H      -4.398151     -6.134766      1.760413
  H      -4.197594     -7.804560      2.354401
  H      -1.479629     -4.158238      0.995353
  H      -3.191086     -4.576379      0.989023
  H      -0.939230     -5.830942      2.647331
  H      -1.851120     -6.615666      1.329997
  C       0.146252     -2.391879      2.001414
  N      -0.927316     -1.687317      2.695627
  C      -2.302091     -2.140981      2.479677
  C      -2.825420     -1.689195      1.102985
  C      -4.304288     -1.934166      0.918420
  C      -5.239406     -1.431138      1.837316
  C      -6.606361     -1.641461      1.658029
  C      -7.068139     -2.364540      0.554228
  C      -6.150741     -2.873577     -0.366366
  C      -4.781975     -2.657651     -0.182070
  C      -7.657157     -6.333486      6.031020
  N      -6.893706     -5.092000      6.025431
  C      -6.429711     -4.516267      4.770189
  C      -7.536474     -4.457584      3.712412
  C      -8.672632     -3.496069      3.982507
  C      -9.705470     -3.398001      3.035569
  C     -10.751153     -2.489727      3.196476
  C     -10.786730     -1.655546      4.317943
  C      -9.771842     -1.749207      5.270893
  C      -8.724734     -2.661081      5.105972
  C      -3.394274     -6.420745      8.005537
  N      -2.934871     -5.037844      7.987523
  C      -1.885446     -4.720382      7.020370
  C      -0.499223     -5.148044      7.558703
  C      -0.049270     -4.264312      8.691632
  C      -0.374542     -4.562465     10.021779
  C       0.014572     -3.715038     11.060877
  C       0.735169     -2.550064     10.785422
  C       1.065752     -2.241301      9.463752
  C       0.676296     -3.093635      8.428740
  H       0.242868     -3.462168      2.272629
  H       1.101170     -1.900394      2.236463
  H       0.004981     -2.324287      0.912779
  H      -0.750253     -1.725021      3.701449
  H      -2.884939     -1.608707      3.241995
  H      -2.270077     -2.171906      0.285389
  H      -2.610999     -0.611310      1.031849
  H      -4.894536     -0.870777      2.708848
  H      -7.317268     -1.253409      2.389877
  H      -8.138250     -2.530865      0.419334
  H      -6.499333     -3.437972     -1.233675
  H      -4.067995     -3.052999     -0.909421
  H      -7.878189     -6.596091      7.075092
  H      -8.623392     -6.184930      5.527495
  H      -7.159122     -7.205335      5.564568
  H      -6.113119     -5.134884      6.680568
  H      -6.135793     -3.482092      5.000869
  H      -7.052176     -4.155084      2.770217
  H      -7.959826     -5.456744      3.523965
  H      -9.679808     -4.041921      2.152196
  H     -11.540136     -2.431262      2.443933
  H     -11.602507     -0.942243      4.447891
  H      -9.791654     -1.107888      6.154296
  H      -7.952691     -2.738949      5.871419
  H      -2.583342     -7.089571      8.332596
  H      -3.761689     -6.784092      7.024217
  H      -4.210961     -6.516588      8.734332
  H      -3.724388     -4.415328      7.804003
  H      -1.883238     -3.624239      6.953222
  H       0.227841     -5.083142      6.735726
  H      -0.524772     -6.196607      7.890832
  H      -0.947838     -5.465423     10.240125
  H      -0.247909     -3.963994     12.090981
  H       1.039442     -1.887017     11.597224
  H       1.630888     -1.334981      9.237702
  H       0.938486     -2.848677      7.396010
  N      -3.741705     -2.851652      5.276245
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000565045190
  N      -2.555097     -3.576830      2.751225
  C      -2.304988     -4.505472      1.644653
  C      -1.932436     -5.889067      2.166661
  N      -2.894588     -6.324672      3.184996
  C      -4.199671     -6.738405      2.658902
  C      -5.294179     -6.467028      3.687109
  N      -5.186512     -5.107914      4.223273
  Mo     -3.399687     -4.252702      4.420502
  N      -2.161943     -5.211949      5.646248
  C      -1.498616     -6.444311      5.216268
  C      -2.347427     -7.218877      4.209815
  H      -1.308930     -7.114267      6.070223
  H      -0.506481     -6.220463      4.776592
  H      -3.198990     -7.666867      4.741839
  H      -1.758847     -8.045716      3.765048
  H      -6.266519     -6.620219      3.191704
  H      -5.242106     -7.217432      4.499331
  H      -4.404674     -6.134928      1.763018
  H      -4.202992     -7.804674      2.356655
  H      -1.483726     -4.156181      1.000311
  H      -3.195622     -4.572672      0.991087
  H      -0.945662     -5.830117      2.649828
  H      -1.857171     -6.613394      1.331352
  C       0.141466     -2.390177      2.021764
  N      -0.935412     -1.685262      2.710534
  C      -2.309030     -2.139844      2.487388
  C      -2.826237     -1.685727      1.109340
  C      -4.303618     -1.933476      0.917223
  C      -5.243991     -1.438022      1.834610
  C      -6.609683     -1.650525      1.648227
  C      -7.064690     -2.369180      0.538759
  C      -6.142034     -2.871066     -0.380622
  C      -4.774671     -2.652520     -0.189259
  C      -7.658462     -6.336414      6.036943
  N      -6.899560     -5.092129      6.028809
  C      -6.436235     -4.517702      4.772474
  C      -7.542665     -4.462413      3.713965
  C      -8.676466     -3.496830      3.978683
  C      -9.699403     -3.388099      3.022083
  C     -10.742579     -2.476337      3.178329
  C     -10.785933     -1.649393      4.304940
  C      -9.781371     -1.754047      5.267486
  C      -8.736446     -2.669372      5.107109
  C      -3.383914     -6.421168      8.016486
  N      -2.928455     -5.036964      7.991105
  C      -1.882740     -4.719839      7.020004
  C      -0.494091     -5.146492      7.552984
  C      -0.040465     -4.263678      8.685179
  C      -0.358104     -4.565166     10.016417
  C       0.034650     -3.718920     11.055126
  C       0.751204     -2.551864     10.777988
  C       1.074066     -2.239782      9.455246
  C       0.681054     -3.090918      8.420565
  H       0.231993     -3.462159      2.287867
  H       1.095890     -1.902984      2.267171
  H       0.009586     -2.315767      0.932337
  H      -0.763448     -1.723323      3.717238
  H      -2.895765     -1.609173      3.247857
  H      -2.265401     -2.165108      0.293435
  H      -2.613659     -0.607265      1.042092
  H      -4.904051     -0.881528      2.710580
  H      -7.324879     -1.267016      2.378223
  H      -8.133825     -2.537145      0.397925
  H      -6.485425     -3.431589     -1.252529
  H      -4.056165     -3.041689     -0.915484
  H      -7.884215     -6.594001      7.081278
  H      -8.622373     -6.194395      5.527211
  H      -7.154916     -7.209298      5.578078
  H      -6.118547     -5.131786      6.683713
  H      -6.144034     -3.482668      5.001624
  H      -7.057807     -4.166642      2.769875
  H      -7.968032     -5.461750      3.531171
  H      -9.667212     -4.025962      2.134588
  H     -11.523432     -2.409419      2.418089
  H     -11.599562     -0.932988      4.431250
  H      -9.807331     -1.118511      6.154886
  H      -7.972542     -2.755793      5.879833
  H      -2.571085     -7.086660      8.345372
  H      -3.752826     -6.790480      7.037977
  H      -4.198519     -6.515472      8.747709
  H      -3.720747     -4.418577      7.805691
  H      -1.881294     -3.623712      6.952380
  H       0.229956     -5.080346      6.727469
  H      -0.517745     -6.195518      7.883702
  H      -0.928098     -5.469923     10.236062
  H      -0.221725     -3.970503     12.086131
  H       1.058371     -1.889619     11.589364
  H       1.636034     -1.331753      9.228137
  H       0.937091     -2.843317      7.386912
  N      -3.747561     -2.852684      5.280818
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000569077010
  N      -2.556752     -3.576569      2.751425
  C      -2.307282     -4.504903      1.644546
  C      -1.934995     -5.888715      2.166101
  N      -2.896598     -6.324107      3.185003
  C      -4.201817     -6.738344      2.659701
  C      -5.295588     -6.467131      3.688727
  N      -5.187867     -5.107745      4.224430
  Mo     -3.401284     -4.252167      4.420828
  N      -2.162591     -5.211344      5.645716
  C      -1.499374     -6.443675      5.215428
  C      -2.348755     -7.218289      4.209523
  H      -1.309072     -7.113622      6.069259
  H      -0.507504     -6.219821      4.775149
  H      -3.200006     -7.666198      4.742102
  H      -1.760431     -8.045159      3.764469
  H      -6.268280     -6.620700      3.194143
  H      -5.242666     -7.217204      4.501145
  H      -4.407652     -6.135018      1.763871
  H      -4.204864     -7.804652      2.357572
  H      -1.486053     -4.155779      1.000040
  H      -3.198157     -4.571594      0.991200
  H      -0.947866     -5.830170      2.648613
  H      -1.860658     -6.613066      1.330754
  C       0.140670     -2.390658      2.026939
  N      -0.937174     -1.685202      2.713652
  C      -2.310489     -2.139611      2.488251
  C      -2.825620     -1.685599      1.109425
  C      -4.302572     -1.934231      0.915011
  C      -5.244500     -1.441123      1.832014
  C      -6.609785     -1.654659      1.643674
  C      -7.062720     -2.372069      0.532589
  C      -6.138498     -2.871669     -0.386508
  C      -4.771579     -2.652054     -0.193194
  C      -7.656063     -6.336191      6.043043
  N      -6.898869     -5.090889      6.031639
  C      -6.437770     -4.517799      4.773545
  C      -7.545436     -4.464781      3.716185
  C      -8.677584     -3.496716      3.979143
  C      -9.695023     -3.380714      3.017522
  C     -10.736897     -2.467344      3.172731
  C     -10.784397     -1.645909      4.303223
  C      -9.785331     -1.757760      5.270635
  C      -8.741713     -2.674851      5.111387
  C      -3.381102     -6.422148      8.017443
  N      -2.927210     -5.037352      7.991089
  C      -1.882422     -4.719448      7.019359
  C      -0.492877     -5.144995      7.550696
  C      -0.039313     -4.263001      8.683532
  C      -0.351995     -4.568527     10.014991
  C       0.040652     -3.723134     11.054429
  C       0.752056     -2.552818     10.777748
  C       1.069832     -2.236607      9.454746
  C       0.676960     -3.086917      8.419348
  H       0.228826     -3.463168      2.291630
  H       1.095001     -1.905213      2.276069
  H       0.012198     -2.314194      0.937231
  H      -0.766910     -1.723108      3.720642
  H      -2.898235     -1.608912      3.247890
  H      -2.263161     -2.164548      0.294409
  H      -2.613484     -0.607002      1.042691
  H      -4.906040     -0.885745      2.709239
  H      -7.326203     -1.272781      2.373312
  H      -8.131520     -2.540798      0.390132
  H      -6.480330     -3.431335     -1.259577
  H      -4.051652     -3.039376     -0.918996
  H      -7.883960     -6.589716      7.087933
  H      -8.618894     -6.197729      5.530418
  H      -7.150340     -7.210339      5.588973
  H      -6.116255     -5.129103      6.684765
  H      -6.146705     -3.482071      5.001088
  H      -7.061659     -4.173113      2.770259
  H      -7.972421     -5.464257      3.537717
  H      -9.659266     -4.014026      2.126922
  H     -11.513341     -2.394605      2.408519
  H     -11.596934     -0.928106      4.428655
  H      -9.814565     -1.126599      6.161058
  H      -7.982206     -2.767197      5.887791
  H      -2.567517     -7.086567      8.346583
  H      -3.750153     -6.792684      7.039430
  H      -4.195363     -6.516818      8.748998
  H      -3.720578     -4.420693      7.804249
  H      -1.881867     -3.623280      6.952167
  H       0.230161     -5.076871      6.724458
  H      -0.514618     -6.194474      7.880058
  H      -0.917898     -5.475962     10.234330
  H      -0.211791     -3.977933     12.085613
  H       1.059170     -1.891225     11.589670
  H       1.627631     -1.325917      9.228000
  H       0.928863     -2.835993      7.385476
  N      -3.749085     -2.851796      5.280720
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000573342812
  N      -2.554984     -3.576849      2.749983
  C      -2.307257     -4.505433      1.643012
  C      -1.936411     -5.889557      2.164519
  N      -2.897993     -6.323508      3.183881
  C      -4.203536     -6.737480      2.659072
  C      -5.296598     -6.465450      3.688608
  N      -5.188764     -5.105227      4.222540
  Mo     -3.401984     -4.250558      4.418892
  N      -2.164396     -5.210415      5.644463
  C      -1.501131     -6.442905      5.214411
  C      -2.350515     -7.217676      4.208706
  H      -1.310457     -7.112706      6.068271
  H      -0.509312     -6.218991      4.774028
  H      -3.202037     -7.664970      4.741350
  H      -1.762560     -8.044952      3.763953
  H      -6.269732     -6.619987      3.195178
  H      -5.242430     -7.214288      4.501982
  H      -4.409731     -6.134374      1.763148
  H      -4.207022     -7.803914      2.357368
  H      -1.486121     -4.157171      0.997942
  H      -3.198651     -4.571288      0.990217
  H      -0.948796     -5.832297      2.646220
  H      -1.863861     -6.614289      1.329342
  C       0.143647     -2.393811      2.025513
  N      -0.933561     -1.687513      2.712309
  C      -2.307271     -2.140107      2.486769
  C      -2.822212     -1.686173      1.107761
  C      -4.299400     -1.934204      0.913905
  C      -5.240577     -1.442076      1.832227
  C      -6.606004     -1.655651      1.644823
  C      -7.059767     -2.371944      0.533421
  C      -6.136302     -2.870446     -0.387044
  C      -4.769238     -2.650892     -0.194699
  C      -7.646662     -6.332910      6.053270
  N      -6.893352     -5.085379      6.034908
  C      -6.438054     -4.515596      4.772588
  C      -7.549441     -4.468544      3.718866
  C      -8.680269     -3.498315      3.980205
  C      -9.691870     -3.374961      3.013348
  C     -10.733506     -2.461301      3.168240
  C     -10.786378     -1.646645      4.303414
  C      -9.792867     -1.765487      5.275704
  C      -8.749600     -2.683158      5.116988
  C      -3.382472     -6.422549      8.016267
  N      -2.928846     -5.037516      7.990123
  C      -1.884301     -4.718995      7.018257
  C      -0.494240     -5.143441      7.548670
  C      -0.041578     -4.262308      8.682476
  C      -0.348122     -4.573028     10.014094
  C       0.043649     -3.728464     11.054534
  C       0.747939     -2.553663     10.778639
  C       1.059431     -2.232122      9.455378
  C       0.667454     -3.081638      8.419037
  H       0.229987     -3.466778      2.289014
  H       1.098518     -1.910317      2.276387
  H       0.016289     -2.315712      0.935802
  H      -0.763283     -1.725574      3.719267
  H      -2.894266     -1.608474      3.246284
  H      -2.260314     -2.165810      0.292845
  H      -2.609417     -0.607699      1.040662
  H      -4.901343     -0.887578      2.709668
  H      -7.321729     -1.274593      2.375560
  H      -8.128652     -2.540549      0.391642
  H      -6.478872     -3.429393     -1.260278
  H      -4.049740     -3.037468     -0.921320
  H      -7.875703     -6.580194      7.099445
  H      -8.608920     -6.200879      5.538046
  H      -7.137480     -7.208461      5.605753
  H      -6.107068     -5.120154      6.683870
  H      -6.149376     -3.478237      4.995895
  H      -7.069319     -4.183119      2.769205
  H      -7.977718     -5.469009      3.548736
  H      -9.651513     -4.002747      2.119052
  H     -11.505338     -2.382618      2.399942
  H     -11.598699     -0.928531      4.428510
  H      -9.826206     -1.139530      6.169665
  H      -7.994482     -2.781665      5.896986
  H      -2.568677     -7.086781      8.345302
  H      -3.751769     -6.793186      7.038386
  H      -4.196758     -6.517390      8.747812
  H      -3.722674     -4.421754      7.801829
  H      -1.884584     -3.622779      6.951506
  H       0.227958     -5.072972      6.721864
  H      -0.513792     -6.193397      7.876617
  H      -0.908349     -5.484162     10.232894
  H      -0.203965     -3.987397     12.085853
  H       1.054436     -1.892743     11.591329
  H       1.611469     -1.317777      9.229226
  H       0.914247     -2.826444      7.384954
  N      -3.748828     -2.849015      5.277275
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000575997072
  N      -2.554983     -3.575208      2.749198
  C      -2.307761     -4.503484      1.641872
  C      -1.937155     -5.887759      2.162924
  N      -2.898799     -6.321558      3.182176
  C      -4.204627     -6.734751      2.657215
  C      -5.297148     -6.463313      3.687448
  N      -5.189583     -5.102934      4.221266
  Mo     -3.402618     -4.248928      4.417837
  N      -2.165251     -5.209497      5.643133
  C      -1.502268     -6.442059      5.212715
  C      -2.351646     -7.216363      4.206683
  H      -1.311688     -7.112188      6.066334
  H      -0.510345     -6.218074      4.772591
  H      -3.203363     -7.663562      4.739086
  H      -1.764017     -8.043665      3.761601
  H      -6.270731     -6.618696      3.195181
  H      -5.241296     -7.211955      4.500807
  H      -4.411060     -6.130820      1.761916
  H      -4.208511     -7.800953      2.354709
  H      -1.486934     -4.154882      0.996608
  H      -3.199378     -4.569260      0.989367
  H      -0.949318     -5.831161      2.644255
  H      -1.865288     -6.612330      1.327524
  C       0.143394     -2.393943      2.028358
  N      -0.934243     -1.685386      2.712098
  C      -2.307666     -2.138221      2.485960
  C      -2.822152     -1.684939      1.106463
  C      -4.298586     -1.936336      0.910632
  C      -5.242015     -1.449059      1.829301
  C      -6.606628     -1.666168      1.640004
  C      -7.057242     -2.381142      0.526495
  C      -6.131487     -2.874691     -0.394313
  C      -4.765280     -2.651595     -0.200162
  C      -7.635097     -6.330594      6.065940
  N      -6.887814     -5.079623      6.039673
  C      -6.437942     -4.513752      4.773319
  C      -7.553270     -4.471989      3.723437
  C      -8.681964     -3.498666      3.983131
  C      -9.688532     -3.368339      3.011937
  C     -10.728672     -2.452851      3.166111
  C     -10.784783     -1.643098      4.304651
  C      -9.796006     -1.768559      5.280954
  C      -8.754368     -2.688250      5.123126
  C      -3.386333     -6.420832      8.012828
  N      -2.930377     -5.036469      7.988716
  C      -1.885136     -4.718717      7.017147
  C      -0.495698     -5.144422      7.547921
  C      -0.043231     -4.264188      8.682482
  C      -0.347183     -4.577516     10.014040
  C       0.044378     -3.733756     11.055216
  C       0.745858     -2.557096     10.780128
  C       1.054745     -2.232892      9.456862
  C       0.662973     -3.081625      8.419837
  H       0.227978     -3.466505      2.294272
  H       1.098380     -1.911193      2.280285
  H       0.018102     -2.317952      0.938253
  H      -0.765153     -1.721217      3.719338
  H      -2.895110     -1.606551      3.245052
  H      -2.258368     -2.162997      0.291941
  H      -2.611660     -0.605961      1.039950
  H      -4.905270     -0.895644      2.708350
  H      -7.324099     -1.289041      2.371085
  H      -8.125501     -2.552360      0.383183
  H      -6.471655     -3.432532     -1.269182
  H      -4.043943     -3.034431     -0.926934
  H      -7.864899     -6.571434      7.113482
  H      -8.597077     -6.207000      5.548208
  H      -7.120820     -7.206815      5.625630
  H      -6.099236     -5.108192      6.686179
  H      -6.150995     -3.475052      4.992560
  H      -7.076792     -4.193161      2.770039
  H      -7.983523     -5.473054      3.561660
  H      -9.645258     -3.992067      2.114935
  H     -11.496624     -2.368590      2.394515
  H     -11.595920     -0.923530      4.429085
  H      -9.831805     -1.146284      6.177397
  H      -8.002872     -2.792689      5.905910
  H      -2.573458     -7.086710      8.340834
  H      -3.756136     -6.789311      7.034336
  H      -4.200935     -6.515430      8.744088
  H      -3.723084     -4.419119      7.800640
  H      -1.884394     -3.622479      6.950646
  H       0.226686     -5.073643      6.721268
  H      -0.515598     -6.194524      7.875351
  H      -0.905182     -5.490173     10.232275
  H      -0.201254     -3.994750     12.086484
  H       1.052212     -1.896843     11.593406
  H       1.604538     -1.317056      9.231282
  H       0.907701     -2.824338      7.385774
  N      -3.748832     -2.847260      5.276243
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000579265748
  N      -2.550589     -3.574141      2.746948
  C      -2.305257     -4.502726      1.639435
  C      -1.936633     -5.887527      2.160312
  N      -2.899041     -6.319749      3.179414
  C      -4.205550     -6.730736      2.654248
  C      -5.297569     -6.458344      3.684702
  N      -5.189746     -5.097279      4.216952
  Mo     -3.401533     -4.246080      4.414597
  N      -2.166981     -5.208656      5.641309
  C      -1.504303     -6.441424      5.210779
  C      -2.353497     -7.215153      4.204269
  H      -1.314046     -7.111772      6.064277
  H      -0.512192     -6.217391      4.771098
  H      -3.206010     -7.661442      4.736152
  H      -1.766527     -8.043067      3.759515
  H      -6.271511     -6.614606      3.193467
  H      -5.240497     -7.206028      4.498782
  H      -4.411303     -6.125988      1.759368
  H      -4.211179     -7.796796      2.351277
  H      -1.484515     -4.154909      0.993681
  H      -3.197314     -4.567570      0.987442
  H      -0.948549     -5.832878      2.641329
  H      -1.866266     -6.612057      1.324716
  C       0.147524     -2.395700      2.018595
  N      -0.927706     -1.686097      2.704975
  C      -2.302065     -2.137285      2.482700
  C      -2.819822     -1.684209      1.104254
  C      -4.296520     -1.936696      0.911488
  C      -5.238337     -1.452185      1.833323
  C      -6.603092     -1.670608      1.646754
  C      -7.055496     -2.384283      0.533140
  C      -6.131318     -2.875040     -0.390690
  C      -4.764948     -2.650526     -0.199418
  C      -7.615253     -6.319908      6.086978
  N      -6.877011     -5.064008      6.045440
  C      -6.436409     -4.507478      4.771108
  C      -7.558401     -4.477987      3.727688
  C      -8.686095     -3.502260      3.983419
  C      -9.689519     -3.370945      3.009087
  C     -10.729833     -2.455213      3.160668
  C     -10.789007     -1.646014      4.299460
  C      -9.803056     -1.772100      5.278550
  C      -8.761377     -2.692214      5.123529
  C      -3.390969     -6.422057      8.007419
  N      -2.933567     -5.038083      7.986909
  C      -1.887879     -4.719177      7.015908
  C      -0.498860     -5.145305      7.547315
  C      -0.048026     -4.266750      8.683811
  C      -0.349023     -4.584912     10.014841
  C       0.041011     -3.742777     11.057927
  C       0.737977     -2.562901     10.785289
  C       1.043886     -2.233811      9.462487
  C       0.653640     -3.080925      8.423606
  H       0.232854     -3.467910      2.285890
  H       1.103543     -1.913033      2.266857
  H       0.018594     -2.321449      0.928816
  H      -0.755863     -1.721197      3.711762
  H      -2.887027     -1.604659      3.243019
  H      -2.257676     -2.162061      0.288471
  H      -2.610118     -0.605108      1.037245
  H      -4.900301     -0.899805      2.712505
  H      -7.319203     -1.295418      2.380162
  H      -8.123901     -2.556364      0.391976
  H      -6.472899     -3.431718     -1.265746
  H      -4.044926     -3.031373     -0.928538
  H      -7.842500     -6.550540      7.137404
  H      -8.578629     -6.209112      5.568986
  H      -7.095044     -7.197335      5.656077
  H      -6.084228     -5.082079      6.687233
  H      -6.152456     -3.466008      4.980810
  H      -7.088336     -4.209922      2.768078
  H      -7.989274     -5.481120      3.580737
  H      -9.643537     -3.994091      2.111811
  H     -11.495352     -2.370025      2.386760
  H     -11.600300     -0.926261      4.421775
  H      -9.841107     -1.149958      6.175002
  H      -8.011848     -2.798109      5.908049
  H      -2.578467     -7.089398      8.333391
  H      -3.761178     -6.787397      7.027926
  H      -4.205621     -6.517789      8.738490
  H      -3.725410     -4.418976      7.800998
  H      -1.887303     -3.622883      6.950352
  H       0.224018     -5.072738      6.721209
  H      -0.518367     -6.195876      7.873235
  H      -0.903452     -5.500199     10.231238
  H      -0.202322     -4.007571     12.088768
  H       1.043160     -1.903947     11.600055
  H       1.590146     -1.315399      9.238818
  H       0.895995     -2.819805      7.389943
  N      -3.745487     -2.843594      5.272364
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000587950196
  N      -2.547793     -3.569249      2.745286
  C      -2.303394     -4.497114      1.636893
  C      -1.937304     -5.883008      2.156440
  N      -2.901300     -6.314530      3.174267
  C      -4.208761     -6.721315      2.648010
  C      -5.300075     -6.449271      3.679216
  N      -5.192093     -5.088046      4.211296
  Mo     -3.401860     -4.241135      4.411233
  N      -2.170253     -5.207353      5.638277
  C      -1.508890     -6.440458      5.206537
  C      -2.358316     -7.211950      4.198633
  H      -1.319831     -7.111984      6.059354
  H      -0.516297     -6.216801      4.767759
  H      -3.211981     -7.657313      4.729423
  H      -1.772489     -8.040452      3.753504
  H      -6.274504     -6.606328      3.189310
  H      -5.241127     -7.197009      4.492995
  H      -4.413229     -6.113847      1.754720
  H      -4.217032     -7.786655      2.342558
  H      -1.482195     -4.149424      0.991691
  H      -3.195252     -4.560444      0.984543
  H      -0.949376     -5.831092      2.638037
  H      -1.867786     -6.606459      1.319795
  C       0.149194     -2.392508      2.016032
  N      -0.925365     -1.680355      2.700709
  C      -2.299771     -2.132025      2.480845
  C      -2.820020     -1.679126      1.103159
  C      -4.295252     -1.939520      0.909280
  C      -5.240021     -1.467667      1.834654
  C      -6.603274     -1.693929      1.646744
  C      -7.051169     -2.403427      0.528640
  C      -6.123956     -2.881618     -0.398686
  C      -4.759147     -2.648920     -0.206289
  C      -7.573784     -6.303839      6.130191
  N      -6.859541     -5.035519      6.058317
  C      -6.436139     -4.497453      4.769688
  C      -7.570481     -4.490929      3.738787
  C      -8.694292     -3.508201      3.985338
  C      -9.689916     -3.372381      3.003581
  C     -10.727697     -2.452673      3.148171
  C     -10.791784     -1.643729      4.286923
  C      -9.813319     -1.773928      5.272947
  C      -8.774322     -2.698237      5.125199
  C      -3.400991     -6.420181      7.999558
  N      -2.937987     -5.038045      7.984002
  C      -1.891146     -4.720073      7.013517
  C      -0.503745     -5.150438      7.545887
  C      -0.052692     -4.275183      8.684832
  C      -0.351985     -4.598054     10.015070
  C       0.038460     -3.759107     11.060606
  C       0.734161     -2.577786     10.791217
  C       1.038402     -2.243996      9.469160
  C       0.647733     -3.087910      8.427873
  H       0.234052     -3.463816      2.287226
  H       1.105654     -1.909642      2.262205
  H       0.019646     -2.322288      0.926074
  H      -0.752729     -1.711739      3.707463
  H      -2.883883     -1.599743      3.242035
  H      -2.255205     -2.152296      0.286431
  H      -2.616151     -0.598799      1.038209
  H      -4.905639     -0.918929      2.717497
  H      -7.321702     -1.327809      2.382447
  H      -8.118468     -2.581399      0.386364
  H      -6.462021     -3.434579     -1.277460
  H      -4.036851     -3.020062     -0.938163
  H      -7.796439     -6.514311      7.185860
  H      -8.539436     -6.223772      5.610803
  H      -7.037002     -7.181076      5.719588
  H      -6.061085     -5.028040      6.693391
  H      -6.157635     -3.451153      4.961531
  H      -7.112248     -4.245786      2.767458
  H      -8.003819     -5.496953      3.621302
  H      -9.639377     -3.994818      2.106072
  H     -11.487087     -2.363708      2.368676
  H     -11.600994     -0.920688      4.403534
  H      -9.855103     -1.151561      6.169092
  H      -8.030125     -2.809006      5.914237
  H      -2.590910     -7.091720      8.322962
  H      -3.772352     -6.780153      7.018568
  H      -4.216079     -6.515318      8.730213
  H      -3.726864     -4.413955      7.802603
  H      -1.888009     -3.623739      6.949135
  H       0.220391     -5.077932      6.720829
  H      -0.526193     -6.201466      7.870080
  H      -0.905373     -5.514566     10.228969
  H      -0.203552     -4.027579     12.090808
  H       1.039669     -1.921331     11.607876
  H       1.583764     -1.324423      9.248099
  H       0.888841     -2.823195      7.394826
  N      -3.742682     -2.838657      5.269984
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000754243447
  N      -2.536271     -3.558193      2.739817
  C      -2.294642     -4.482234      1.628237
  C      -1.941398     -5.873335      2.142586
  N      -2.911518     -6.303132      3.155051
  C      -4.220131     -6.698841      2.624494
  C      -5.312242     -6.424190      3.654157
  N      -5.199517     -5.063484      4.187639
  Mo     -3.403211     -4.229992      4.397635
  N      -2.182060     -5.208803      5.626335
  C      -1.527324     -6.445118      5.192745
  C      -2.378014     -7.206846      4.178397
  H      -1.346696     -7.121166      6.043870
  H      -0.531410     -6.227728      4.758464
  H      -3.236454     -7.648762      4.704257
  H      -1.794961     -8.037681      3.733641
  H      -6.284769     -6.575129      3.158730
  H      -5.261159     -7.174864      4.465223
  H      -4.418026     -6.085869      1.733272
  H      -4.234977     -7.762741      2.313887
  H      -1.467460     -4.139245      0.988021
  H      -3.184458     -4.534191      0.971775
  H      -0.955169     -5.830083      2.628744
  H      -1.873315     -6.593250      1.302892
  C       0.164840     -2.381810      2.010533
  N      -0.908897     -1.673967      2.700887
  C      -2.284293     -2.121962      2.482131
  C      -2.810423     -1.663601      1.108782
  C      -4.285871     -1.928937      0.925577
  C      -5.222704     -1.473568      1.866640
  C      -6.586403     -1.709971      1.695067
  C      -7.042668     -2.413975      0.577070
  C      -6.123628     -2.875116     -0.367311
  C      -4.758183     -2.632420     -0.190726
  C      -7.436377     -6.213783      6.280633
  N      -6.809487     -4.912486      6.082867
  C      -6.440885     -4.461289      4.744222
  C      -7.610487     -4.544255      3.757368
  C      -8.730268     -3.548480      3.966441
  C      -9.727222     -3.447780      2.981791
  C     -10.764982     -2.523808      3.094849
  C     -10.827775     -1.674545      4.203897
  C      -9.847871     -1.769172      5.192378
  C      -8.809084     -2.698451      5.076820
  C      -3.414790     -6.425666      7.986996
  N      -2.948142     -5.045217      7.971372
  C      -1.900615     -4.727855      7.003616
  C      -0.514927     -5.166665      7.534751
  C      -0.061816     -4.303048      8.681489
  C      -0.375298     -4.630058     10.007588
  C       0.016768     -3.801799     11.060849
  C       0.728208     -2.627154     10.803207
  C       1.046228     -2.289209      9.485543
  C       0.653942     -3.122491      8.436222
  H       0.247651     -3.456157      2.268818
  H       1.121414     -1.903038      2.263607
  H       0.037623     -2.297498      0.921293
  H      -0.733550     -1.708584      3.706898
  H      -2.864794     -1.591585      3.247391
  H      -2.247811     -2.131333      0.287419
  H      -2.610110     -0.582336      1.048993
  H      -4.880401     -0.930483      2.749877
  H      -7.298501     -1.354016      2.441692
  H      -8.110335     -2.600476      0.447684
  H      -6.468236     -3.423967     -1.246193
  H      -4.041966     -2.991020     -0.934737
  H      -7.626035     -6.343751      7.355644
  H      -8.414069     -6.246102      5.778676
  H      -6.849833     -7.087806      5.937125
  H      -5.997461     -4.804848      6.691401
  H      -6.180696     -3.399197      4.858586
  H      -7.191077     -4.377101      2.752227
  H      -8.040020     -5.559025      3.740209
  H      -9.676893     -4.100785      2.106267
  H     -11.524590     -2.462269      2.312977
  H     -11.636140     -0.946886      4.295144
  H      -9.888440     -1.114622      6.065394
  H      -8.062897     -2.781627      5.867743
  H      -2.612155     -7.099002      8.325189
  H      -3.774417     -6.790448      7.003734
  H      -4.239609     -6.514435      8.707235
  H      -3.735579     -4.419679      7.790306
  H      -1.893930     -3.631116      6.944756
  H       0.211351     -5.091692      6.712085
  H      -0.543869     -6.220408      7.849953
  H      -0.940948     -5.541375     10.211582
  H      -0.236049     -4.073429     12.087645
  H       1.035320     -1.978852     11.625728
  H       1.603342     -1.374315      9.274438
  H       0.905037     -2.854460      7.406386
  N      -3.737009     -2.826868      5.257969
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000805345297
  N      -2.538364     -3.556521      2.754343
  C      -2.295564     -4.477388      1.639806
  C      -1.942887     -5.870307      2.150032
  N      -2.915202     -6.303371      3.159395
  C      -4.223159     -6.696881      2.624473
  C      -5.318753     -6.423103      3.650772
  N      -5.204509     -5.064653      4.188779
  Mo     -3.407712     -4.234853      4.408562
  N      -2.190433     -5.219468      5.636274
  C      -1.535261     -6.453712      5.198247
  C      -2.384055     -7.211602      4.179834
  H      -1.355512     -7.132944      6.046936
  H      -0.538838     -6.233950      4.766237
  H      -3.243409     -7.656091      4.702185
  H      -1.800303     -8.040239      3.732155
  H      -6.289331     -6.569397      3.150695
  H      -5.273147     -7.177631      4.459090
  H      -4.418027     -6.082294      1.733945
  H      -4.237846     -7.760181      2.311994
  H      -1.468204     -4.131436      1.001540
  H      -3.184530     -4.527810      0.982510
  H      -0.957390     -5.828945      2.637672
  H      -1.873452     -6.587381      1.307882
  C       0.160399     -2.365543      2.018687
  N      -0.914090     -1.667194      2.717329
  C      -2.288610     -2.118055      2.499690
  C      -2.820256     -1.655864      1.129133
  C      -4.296368     -1.923450      0.950211
  C      -5.232525     -1.470141      1.893788
  C      -6.595407     -1.714640      1.727538
  C      -7.051972     -2.421266      0.611197
  C      -6.133972     -2.878501     -0.335631
  C      -4.769246     -2.629781     -0.163524
  C      -7.421442     -6.204633      6.271051
  N      -6.814896     -4.894739      6.075191
  C      -6.445072     -4.453724      4.736035
  C      -7.612996     -4.544761      3.747857
  C      -8.733772     -3.546434      3.943080
  C      -9.738545     -3.471725      2.964148
  C     -10.775798     -2.544993      3.060647
  C     -10.830049     -1.666560      4.147059
  C      -9.841890     -1.734570      5.129732
  C      -8.803745     -2.666145      5.030525
  C      -3.402671     -6.449897      8.007141
  N      -2.942652     -5.066800      7.990677
  C      -1.904306     -4.741503      7.013521
  C      -0.512384     -5.175452      7.531706
  C      -0.051783     -4.308630      8.673142
  C      -0.360906     -4.628288     10.002122
  C       0.038300     -3.796251     11.049768
  C       0.752661     -2.625235     10.783847
  C       1.066700     -2.294837      9.463330
  C       0.667284     -3.131874      8.419685
  H       0.247536     -3.441511      2.269329
  H       1.116060     -1.885547      2.273296
  H       0.030255     -2.274435      0.930334
  H      -0.736013     -1.709456      3.722642
  H      -2.868890     -1.591817      3.267850
  H      -2.260972     -2.121334      0.304202
  H      -2.621016     -0.574311      1.070694
  H      -4.890624     -0.924649      2.775675
  H      -7.306999     -1.364248      2.477515
  H      -8.118803     -2.614109      0.486400
  H      -6.478861     -3.429414     -1.213073
  H      -4.054357     -2.986114     -0.909890
  H      -7.608792     -6.340306      7.345564
  H      -8.397868     -6.250356      5.768011
  H      -6.818526     -7.067101      5.924844
  H      -6.006756     -4.775108      6.686629
  H      -6.183742     -3.390675      4.839461
  H      -7.191266     -4.385038      2.742845
  H      -8.043108     -5.559369      3.736275
  H      -9.695598     -4.148179      2.106157
  H     -11.542014     -2.504822      2.283782
  H     -11.638099     -0.937085      4.225399
  H      -9.875352     -1.056673      5.985044
  H      -8.050782     -2.726293      5.816408
  H      -2.591879     -7.120016      8.332078
  H      -3.773499     -6.811563      7.026456
  H      -4.218093     -6.546451      8.737136
  H      -3.734658     -4.443950      7.821409
  H      -1.901522     -3.644710      6.957015
  H       0.205756     -5.097139      6.702009
  H      -0.533511     -6.229162      7.847327
  H      -0.928910     -5.536460     10.212739
  H      -0.211323     -4.062025     12.078872
  H       1.065129     -1.974116     11.602152
  H       1.626321     -1.383105      9.245354
  H       0.915585     -2.869852      7.387574
  N      -3.742892     -2.835858      5.275000
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.000821801360
  N      -2.534822     -3.553861      2.761832
  C      -2.293684     -4.470211      1.643579
  C      -1.948476     -5.867258      2.147868
  N      -2.924220     -6.301776      3.153341
  C      -4.231919     -6.690258      2.614873
  C      -5.330348     -6.414154      3.637784
  N      -5.211509     -5.057395      4.179463
  Mo     -3.411918     -4.235926      4.409551
  N      -2.200832     -5.230137      5.636356
  C      -1.548645     -6.464609      5.194462
  C      -2.397935     -7.215292      4.171231
  H      -1.372785     -7.147991      6.040648
  H      -0.550681     -6.247088      4.764886
  H      -3.259739     -7.659545      4.689777
  H      -1.815038     -8.043787      3.722000
  H      -6.297801     -6.552116      3.129648
  H      -5.295768     -7.172696      4.442785
  H      -4.422092     -6.074069      1.724333
  H      -4.248750     -7.753087      2.300692
  H      -1.462523     -4.126047      1.009114
  H      -3.181296     -4.512101      0.983735
  H      -0.964091     -5.831231      2.638303
  H      -1.879494     -6.580721      1.302703
  C       0.167892     -2.354876      2.024347
  N      -0.906255     -1.668228      2.735036
  C      -2.281224     -2.115439      2.515194
  C      -2.815992     -1.646002      1.148303
  C      -4.294402     -1.908061      0.980508
  C      -5.221051     -1.451110      1.931734
  C      -6.585439     -1.697996      1.782043
  C      -7.053362     -2.408930      0.673245
  C      -6.145403     -2.868256     -0.282310
  C      -4.778882     -2.618640     -0.125718
  C      -7.366206     -6.132893      6.334064
  N      -6.802678     -4.815082      6.073334
  C      -6.452476     -4.431107      4.712271
  C      -7.631653     -4.568567      3.743815
  C      -8.754490     -3.567418      3.911344
  C      -9.773260     -3.540504      2.944530
  C     -10.814153     -2.615456      3.014413
  C     -10.858479     -1.690264      4.061633
  C      -9.856482     -1.710289      5.032346
  C      -8.814728     -2.640330      4.959852
  C      -3.376213     -6.489166      8.018884
  N      -2.936597     -5.099509      7.997578
  C      -1.909719     -4.758175      7.014893
  C      -0.509048     -5.181940      7.518419
  C      -0.046214     -4.319045      8.661810
  C      -0.360220     -4.638633      9.989856
  C       0.040470     -3.809595     11.039184
  C       0.761071     -2.641679     10.775939
  C       1.079720     -2.311368      9.456632
  C       0.678888     -3.145462      8.411050
  H       0.254436     -3.435565      2.253177
  H       1.123386     -1.880372      2.289525
  H       0.039525     -2.241013      0.937899
  H      -0.725472     -1.723192      3.739179
  H      -2.859821     -1.592287      3.286690
  H      -2.263627     -2.112438      0.319335
  H      -2.611745     -0.565254      1.092267
  H      -4.869325     -0.902599      2.807847
  H      -7.289452     -1.345582      2.538192
  H      -8.121195     -2.604355      0.561910
  H      -6.499153     -3.423088     -1.153762
  H      -4.071670     -2.977553     -0.878146
  H      -7.532807     -6.227674      7.416303
  H      -8.347606     -6.230819      5.848502
  H      -6.741639     -6.990666      6.015532
  H      -5.991485     -4.646238      6.669132
  H      -6.197182     -3.362976      4.767196
  H      -7.223848     -4.448274      2.727451
  H      -8.056897     -5.584829      3.779443
  H      -9.738694     -4.253983      2.116643
  H     -11.590913     -2.613519      2.247041
  H     -11.668921     -0.961478      4.118917
  H      -9.881942     -0.995565      5.857425
  H      -8.050839     -2.659843      5.736904
  H      -2.556859     -7.147132      8.347308
  H      -3.742528     -6.860575      7.040104
  H      -4.190193     -6.594925      8.749107
  H      -3.739821     -4.490389      7.832116
  H      -1.917849     -3.661010      6.966063
  H       0.201386     -5.090967      6.683576
  H      -0.518210     -6.238471      7.825262
  H      -0.933162     -5.544242     10.197879
  H      -0.212731     -4.075246     12.067452
  H       1.074854     -1.992806     11.595522
  H       1.643776     -1.401761      9.241103
  H       0.930121     -2.883359      7.379646
  N      -3.744922     -2.838582      5.279620
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.001098370825
  N      -2.526754     -3.533540      2.774904
  C      -2.280794     -4.443646      1.651224
  C      -1.939204     -5.843904      2.147929
  N      -2.924193     -6.282613      3.142469
  C      -4.231563     -6.656854      2.590679
  C      -5.333022     -6.389352      3.612450
  N      -5.218306     -5.035245      4.160406
  Mo     -3.414840     -4.227581      4.412711
  N      -2.220101     -5.238380      5.641597
  C      -1.567583     -6.469691      5.191215
  C      -2.409882     -7.209014      4.154909
  H      -1.398322     -7.161269      6.032102
  H      -0.566375     -6.247260      4.771920
  H      -3.277062     -7.656220      4.661959
  H      -1.827108     -8.034393      3.700370
  H      -6.300965     -6.531296      3.107061
  H      -5.289619     -7.152599      4.412601
  H      -4.414596     -6.028088      1.707893
  H      -4.252798     -7.715732      2.264133
  H      -1.449716     -4.091056      1.021796
  H      -3.166020     -4.484822      0.988703
  H      -0.957483     -5.815586      2.643910
  H      -1.866715     -6.550952      1.297355
  C       0.163535     -2.323291      2.036396
  N      -0.912590     -1.632309      2.739471
  C      -2.284537     -2.090400      2.527843
  C      -2.831840     -1.622990      1.164590
  C      -4.302886     -1.922176      0.988325
  C      -5.245616     -1.513315      1.946460
  C      -6.601128     -1.797313      1.784559
  C      -7.044398     -2.496472      0.657903
  C      -6.120077     -2.906504     -0.303628
  C      -4.762374     -2.619853     -0.135543
  C      -7.215232     -6.084445      6.416096
  N      -6.758862     -4.740319      6.090688
  C      -6.449365     -4.403884      4.707920
  C      -7.655492     -4.589210      3.779571
  C      -8.772225     -3.576075      3.921056
  C      -9.793238     -3.573102      2.956565
  C     -10.827775     -2.638812      3.000137
  C     -10.861945     -1.680342      4.017261
  C      -9.856144     -1.675290      4.984672
  C      -8.821326     -2.613939      4.938645
  C      -3.456885     -6.477143      7.983351
  N      -2.965365     -5.104688      8.002884
  C      -1.929435     -4.775718      7.022063
  C      -0.538469     -5.225424      7.530493
  C      -0.059526     -4.359835      8.665533
  C      -0.371037     -4.663618      9.997702
  C       0.046546     -3.831150     11.037913
  C       0.782280     -2.675836     10.761916
  C       1.099871     -2.361827      9.438140
  C       0.682024     -3.199266      8.402112
  H       0.260171     -3.397454      2.292792
  H       1.117209     -1.835958      2.284803
  H       0.026444     -2.240679      0.948331
  H      -0.730550     -1.675692      3.744055
  H      -2.863595     -1.574060      3.303636
  H      -2.268465     -2.068346      0.331151
  H      -2.655028     -0.537076      1.116005
  H      -4.915746     -0.974042      2.836734
  H      -7.317734     -1.486226      2.546993
  H      -8.105558     -2.719916      0.537825
  H      -6.454690     -3.449231     -1.190092
  H      -4.043653     -2.941024     -0.894110
  H      -7.373971     -6.144717      7.501959
  H      -8.185687     -6.282516      5.939477
  H      -6.519698     -6.899398      6.133899
  H      -5.953236     -4.489108      6.665258
  H      -6.209231     -3.331357      4.719739
  H      -7.276913     -4.522357      2.747444
  H      -8.082936     -5.599985      3.880080
  H      -9.766062     -4.312568      2.151503
  H     -11.607514     -2.655453      2.235951
  H     -11.668134     -0.945571      4.053685
  H      -9.872911     -0.932859      5.785136
  H      -8.052446     -2.617668      5.710803
  H      -2.652222     -7.173808      8.264777
  H      -3.857435     -6.792942      6.998257
  H      -4.258279     -6.582763      8.727317
  H      -3.742488     -4.455004      7.872722
  H      -1.916953     -3.678899      6.974205
  H       0.173913     -5.154447      6.695032
  H      -0.567049     -6.278024      7.848873
  H      -0.955820     -5.558893     10.216580
  H      -0.205565     -4.084209     12.069605
  H       1.108658     -2.024809     11.574860
  H       1.677043     -1.463250      9.211509
  H       0.934323     -2.950801      7.367406
  N      -3.745636     -2.839253      5.296967
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.001337523123
  N      -2.516862     -3.524283      2.773311
  C      -2.266475     -4.433923      1.650319
  C      -1.939968     -5.837346      2.146612
  N      -2.937905     -6.268720      3.130943
  C      -4.244363     -6.626603      2.565925
  C      -5.349074     -6.356260      3.583319
  N      -5.227544     -5.005546      4.138020
  Mo     -3.418442     -4.214952      4.404719
  N      -2.238021     -5.238120      5.637054
  C      -1.595845     -6.475586      5.187052
  C      -2.440869     -7.203302      4.144798
  H      -1.437976     -7.170613      6.027392
  H      -0.590407     -6.262468      4.773365
  H      -3.316205     -7.640757      4.646068
  H      -1.865195     -8.034805      3.692239
  H      -6.316400     -6.491285      3.074781
  H      -5.312037     -7.123865      4.379504
  H      -4.414702     -5.989237      1.686636
  H      -4.273187     -7.682995      2.232054
  H      -1.427306     -4.085747      1.029049
  H      -3.146273     -4.467928      0.980114
  H      -0.962302     -5.819281      2.651069
  H      -1.866825     -6.543083      1.295167
  C       0.168860     -2.322589      2.042774
  N      -0.907964     -1.620664      2.734259
  C      -2.278988     -2.081411      2.522740
  C      -2.822367     -1.622025      1.155367
  C      -4.288897     -1.936654      0.968246
  C      -5.242329     -1.544024      1.921682
  C      -6.593927     -1.839205      1.747049
  C      -7.021656     -2.540366      0.615751
  C      -6.086454     -2.933840     -0.342429
  C      -4.733285     -2.631075     -0.164175
  C      -7.054310     -6.046191      6.482564
  N      -6.715497     -4.680018      6.106490
  C      -6.451148     -4.374668      4.705703
  C      -7.681293     -4.599088      3.818365
  C      -8.795823     -3.582332      3.949683
  C      -9.803150     -3.574098      2.971057
  C     -10.840361     -2.642769      3.007730
  C     -10.890447     -1.691908      4.031409
  C      -9.897882     -1.691855      5.012392
  C      -8.860944     -2.628714      4.974249
  C      -3.489616     -6.467794      7.968830
  N      -2.985279     -5.100325      7.994730
  C      -1.944747     -4.777978      7.018080
  C      -0.557756     -5.236750      7.530349
  C      -0.076805     -4.377056      8.669087
  C      -0.382243     -4.690591     10.000273
  C       0.038392     -3.864704     11.044546
  C       0.771142     -2.706357     10.773499
  C       1.082337     -2.382354      9.450614
  C       0.661422     -3.213124      8.410545
  H       0.259655     -3.394615      2.309796
  H       1.123440     -1.836897      2.290435
  H       0.036493     -2.249876      0.953355
  H      -0.729446     -1.653524      3.739924
  H      -2.860819     -1.562489      3.294883
  H      -2.248116     -2.063341      0.327090
  H      -2.656329     -0.534548      1.104865
  H      -4.924887     -1.006249      2.817414
  H      -7.319464     -1.535271      2.503510
  H      -8.079955     -2.773628      0.486733
  H      -6.409081     -3.474924     -1.234326
  H      -4.005449     -2.939386     -0.919402
  H      -7.210783     -6.081199      7.570014
  H      -8.001324     -6.348111      6.012933
  H      -6.287418     -6.804832      6.230640
  H      -5.914462     -4.355646      6.651267
  H      -6.229236     -3.298834      4.688210
  H      -7.334412     -4.573846      2.773048
  H      -8.103464     -5.605470      3.972631
  H      -9.762946     -4.307208      2.160712
  H     -11.609085     -2.654707      2.232445
  H     -11.698418     -0.958844      4.062135
  H      -9.927044     -0.955381      5.817996
  H      -8.102786     -2.639992      5.757390
  H      -2.690252     -7.172872      8.244157
  H      -3.895670     -6.774299      6.983699
  H      -4.289570     -6.569307      8.714759
  H      -3.755898     -4.442852      7.864398
  H      -1.925803     -3.681261      6.970869
  H       0.157597     -5.168413      6.697350
  H      -0.593418     -6.289776      7.846689
  H      -0.964435     -5.588520     10.215723
  H      -0.208639     -4.125583     12.075508
  H       1.100239     -2.060677     11.589587
  H       1.657333     -1.481424      9.227795
  H       0.909042     -2.956879      7.376782
  N      -3.743974     -2.826091      5.290573
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.001558826859
  N      -2.513311     -3.527009      2.775169
  C      -2.258095     -4.437716      1.654579
  C      -1.946314     -5.843316      2.153151
  N      -2.955938     -6.266351      3.128914
  C      -4.259561     -6.612315      2.550661
  C      -5.370173     -6.335937      3.559717
  N      -5.239441     -4.988888      4.121267
  Mo     -3.426520     -4.211833      4.402212
  N      -2.255557     -5.242357      5.637316
  C      -1.623425     -6.486380      5.190088
  C      -2.473846     -7.205642      4.146126
  H      -1.473975     -7.182015      6.031567
  H      -0.615156     -6.283951      4.778259
  H      -3.356087     -7.631675      4.644929
  H      -1.905451     -8.044498      3.697611
  H      -6.333858     -6.460498      3.041749
  H      -5.349103     -7.107430      4.352545
  H      -4.415228     -5.969599      1.672335
  H      -4.293335     -7.667158      2.212452
  H      -1.409482     -4.096982      1.041959
  H      -3.131703     -4.464028      0.975697
  H      -0.972994     -5.832632      2.666228
  H      -1.871960     -6.549934      1.302878
  C       0.171452     -2.327614      2.047419
  N      -0.907175     -1.622417      2.733737
  C      -2.278341     -2.085347      2.521734
  C      -2.816133     -1.632333      1.150413
  C      -4.282505     -1.944155      0.959131
  C      -5.237283     -1.546571      1.907773
  C      -6.590127     -1.833945      1.728171
  C      -7.017033     -2.537654      0.598584
  C      -6.080386     -2.936502     -0.356582
  C      -4.726484     -2.637905     -0.174930
  C      -6.927676     -5.996871      6.525918
  N      -6.702787     -4.618808      6.105130
  C      -6.462361     -4.351217      4.690489
  C      -7.705250     -4.610133      3.832838
  C      -8.816891     -3.589955      3.952374
  C      -9.801310     -3.564239      2.950929
  C     -10.839775     -2.634481      2.980763
  C     -10.914191     -1.702445      4.020320
  C      -9.945140     -1.720749      5.024300
  C      -8.907281     -2.657431      4.993645
  C      -3.464221     -6.484834      7.990508
  N      -2.985403     -5.108522      7.996318
  C      -1.953160     -4.780123      7.016577
  C      -0.559861     -5.229996      7.519604
  C      -0.080706     -4.379184      8.665643
  C      -0.368434     -4.717315      9.994701
  C       0.051428     -3.902026     11.047525
  C       0.765571     -2.729709     10.786971
  C       1.058196     -2.380697      9.466314
  C       0.638018     -3.200831      8.417511
  H       0.260426     -3.399347      2.314852
  H       1.125380     -1.841732      2.296867
  H       0.042797     -2.253977      0.957429
  H      -0.730029     -1.649326      3.739867
  H      -2.861790     -1.562687      3.290167
  H      -2.237917     -2.078477      0.327582
  H      -2.648360     -0.545331      1.094853
  H      -4.919961     -1.009292      2.803935
  H      -7.317127     -1.519613      2.478743
  H      -8.076260     -2.766115      0.466498
  H      -6.402177     -3.478751     -1.248051
  H      -3.996408     -2.949501     -0.926697
  H      -7.104757     -6.008597      7.610852
  H      -7.830930     -6.401747      6.046952
  H      -6.089324     -6.689193      6.316974
  H      -5.916374     -4.224095      6.625662
  H      -6.254676     -3.273837      4.643202
  H      -7.381796     -4.621621      2.779532
  H      -8.121266     -5.611386      4.032701
  H      -9.741204     -4.282018      2.128231
  H     -11.589568     -2.631720      2.187091
  H     -11.722244     -0.969240      4.045605
  H      -9.993955     -1.000162      5.843208
  H      -8.169044     -2.685635      5.796056
  H      -2.654252     -7.171012      8.282017
  H      -3.860521     -6.816768      7.010693
  H      -4.265571     -6.586688      8.734785
  H      -3.769412     -4.470293      7.849632
  H      -1.943470     -3.683171      6.970328
  H       0.151495     -5.148915      6.684508
  H      -0.586119     -6.286494      7.825341
  H      -0.935718     -5.626765     10.202233
  H      -0.181126     -4.182496     12.076695
  H       1.094701     -2.092319     11.609524
  H       1.618305     -1.468442      9.251880
  H       0.870957     -2.924725      7.385735
  N      -3.750917     -2.820360      5.285839
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.001012508419
  N      -2.511461     -3.551049      2.774826
  C      -2.255680     -4.467649      1.660095
  C      -1.957919     -5.873517      2.166606
  N      -2.974121     -6.284305      3.141203
  C      -4.274942     -6.628766      2.557220
  C      -5.391263     -6.338795      3.555812
  N      -5.250781     -4.991568      4.114792
  Mo     -3.436525     -4.220194      4.401584
  N      -2.269490     -5.247483      5.642871
  C      -1.640903     -6.496181      5.203133
  C      -2.499111     -7.218307      4.167061
  H      -1.489336     -7.185900      6.048954
  H      -0.633997     -6.300835      4.784851
  H      -3.384523     -7.631360      4.671038
  H      -1.936759     -8.066105      3.727366
  H      -6.349933     -6.454833      3.026349
  H      -5.391006     -7.106648      4.352679
  H      -4.419126     -5.989917      1.673864
  H      -4.310806     -7.685173      2.224121
  H      -1.397868     -4.140053      1.052914
  H      -3.124402     -4.486769      0.974268
  H      -0.987152     -5.866276      2.684488
  H      -1.885346     -6.585454      1.321079
  C       0.183105     -2.354200      2.034429
  N      -0.894764     -1.656834      2.730873
  C      -2.269165     -2.113420      2.516875
  C      -2.794275     -1.663495      1.140368
  C      -4.264555     -1.949144      0.945233
  C      -5.214523     -1.521425      1.883959
  C      -6.573702     -1.774538      1.698498
  C      -7.011505     -2.476543      0.572606
  C      -6.079363     -2.908504     -0.373350
  C      -4.719381     -2.642650     -0.186043
  C      -6.956579     -6.023317      6.477614
  N      -6.737275     -4.634108      6.085937
  C      -6.479595     -4.350857      4.674042
  C      -7.716615     -4.594442      3.805404
  C      -8.824925     -3.575123      3.947553
  C      -9.776758     -3.481537      2.918577
  C     -10.814450     -2.552678      2.975061
  C     -10.921599     -1.689706      4.070142
  C      -9.986887     -1.777678      5.102313
  C      -8.949611     -2.714663      5.044854
  C      -3.357466     -6.532380      8.061267
  N      -2.962362     -5.131166      8.010539
  C      -1.956521     -4.774498      7.017698
  C      -0.541707     -5.178923      7.497204
  C      -0.077580     -4.332896      8.652565
  C      -0.316381     -4.718602      9.978305
  C       0.089078     -3.911360     11.042835
  C       0.739174     -2.699300     10.796750
  C       0.981368     -2.302208      9.479637
  C       0.575728     -3.114319      8.418840
  H       0.280088     -3.427691      2.289479
  H       1.135611     -1.864043      2.281048
  H       0.048248     -2.267601      0.945980
  H      -0.714740     -1.690335      3.736226
  H      -2.851196     -1.581909      3.280215
  H      -2.218234     -2.125914      0.325342
  H      -2.608236     -0.579812      1.077198
  H      -4.887474     -0.985835      2.777716
  H      -7.296695     -1.430465      2.439790
  H      -8.075568     -2.678833      0.435590
  H      -6.409067     -3.452039     -1.261113
  H      -3.991379     -2.977772     -0.929730
  H      -7.169840     -6.055587      7.555719
  H      -7.834995     -6.434454      5.958655
  H      -6.103008     -6.699839      6.284815
  H      -5.950605     -4.248379      6.614242
  H      -6.267406     -3.273747      4.640253
  H      -7.392992     -4.587508      2.752091
  H      -8.131316     -5.599761      3.988865
  H      -9.690051     -4.144325      2.053343
  H     -11.537358     -2.495739      2.158793
  H     -11.727982     -0.955675      4.117131
  H     -10.062546     -1.113513      5.965677
  H      -8.240692     -2.798741      5.870388
  H      -2.514767     -7.157310      8.394466
  H      -3.721678     -6.935276      7.096719
  H      -4.161273     -6.645196      8.801315
  H      -3.786109     -4.553316      7.831487
  H      -1.984805     -3.677699      6.971373
  H       0.155202     -5.061746      6.654426
  H      -0.527982     -6.240723      7.784667
  H      -0.833103     -5.660364     10.174731
  H      -0.104212     -4.229544     12.069156
  H       1.057709     -2.067625     11.627848
  H       1.490465     -1.357898      9.277284
  H       0.767988     -2.799616      7.390025
  N      -3.762441     -2.820524      5.273588
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.001891965855
  N      -2.514960     -3.538909      2.792133
  C      -2.256980     -4.449318      1.672439
  C      -1.963786     -5.858918      2.171486
  N      -2.985209     -6.274334      3.139093
  C      -4.285486     -6.609482      2.547485
  C      -5.405907     -6.322109      3.542135
  N      -5.263936     -4.978213      4.108486
  Mo     -3.447432     -4.217806      4.411252
  N      -2.288527     -5.257876      5.650006
  C      -1.661263     -6.504221      5.202923
  C      -2.517473     -7.217285      4.159562
  H      -1.512478     -7.199810      6.044371
  H      -0.652775     -6.307300      4.788993
  H      -3.406155     -7.631346      4.657317
  H      -1.956225     -8.063466      3.715647
  H      -6.361646     -6.432814      3.006741
  H      -5.411569     -7.095350      4.333859
  H      -4.423283     -5.964347      1.668090
  H      -4.324098     -7.663517      2.207346
  H      -1.397197     -4.117836      1.070361
  H      -3.122960     -4.463452      0.983442
  H      -0.995063     -5.856836      2.692981
  H      -1.888620     -6.565340      1.321297
  C       0.180095     -2.322195      2.063574
  N      -0.904412     -1.635583      2.759713
  C      -2.275386     -2.098252      2.540568
  C      -2.802970     -1.642872      1.166135
  C      -4.269360     -1.945629      0.966150
  C      -5.227001     -1.540687      1.908172
  C      -6.580932     -1.819298      1.721936
  C      -7.006120     -2.518507      0.589326
  C      -6.066487     -2.926711     -0.359290
  C      -4.711720     -2.639354     -0.169196
  C      -6.861588     -5.940358      6.529680
  N      -6.719937     -4.556839      6.087522
  C      -6.487987     -4.324691      4.662178
  C      -7.738775     -4.608593      3.823301
  C      -8.850536     -3.586489      3.930219
  C      -9.802912     -3.533274      2.898706
  C     -10.843164     -2.605335      2.920238
  C     -10.951597     -1.701436      3.981347
  C     -10.015110     -1.746855      5.014810
  C      -8.975779     -2.682725      4.992704
  C      -3.355754     -6.564497      8.078320
  N      -2.966296     -5.160960      8.028056
  C      -1.969704     -4.794994      7.026462
  C      -0.550423     -5.202783      7.489083
  C      -0.070446     -4.359067      8.639613
  C      -0.312082     -4.733998      9.968068
  C       0.112973     -3.929963     11.027651
  C       0.788261     -2.732775     10.773744
  C       1.031647     -2.345840      9.453740
  C       0.604757     -3.154081      8.398274
  H       0.285006     -3.395318      2.317907
  H       1.128153     -1.825184      2.314061
  H       0.047433     -2.235748      0.974996
  H      -0.726859     -1.672158      3.765306
  H      -2.861402     -1.574363      3.305954
  H      -2.221373     -2.092337      0.347748
  H      -2.628848     -0.556744      1.112153
  H      -4.909770     -1.006699      2.806388
  H      -7.309871     -1.498430      2.468034
  H      -8.066025     -2.739804      0.451644
  H      -6.386346     -3.469085     -1.251367
  H      -3.978536     -2.956802     -0.915505
  H      -7.064546     -5.948259      7.610119
  H      -7.719482     -6.415275      6.031839
  H      -5.971984     -6.573022      6.350406
  H      -5.941995     -4.117789      6.586934
  H      -6.284446     -3.248129      4.585552
  H      -7.431711     -4.648329      2.766273
  H      -8.147590     -5.605644      4.058263
  H      -9.715018     -4.228225      2.059179
  H     -11.567118     -2.581577      2.103196
  H     -11.759789     -0.968116      4.000645
  H     -10.090488     -1.048673      5.850964
  H      -8.263278     -2.731310      5.817003
  H      -2.507572     -7.186897      8.402240
  H      -3.727795     -6.965384      7.115003
  H      -4.153436     -6.683596      8.824096
  H      -3.793754     -4.584324      7.863781
  H      -1.998094     -3.698099      6.986948
  H       0.136703     -5.084691      6.638264
  H      -0.535308     -6.265134      7.773991
  H      -0.845614     -5.664935     10.170284
  H      -0.082425     -4.239884     12.056187
  H       1.123092     -2.104347     11.600909
  H       1.558933     -1.412947      9.245030
  H       0.799930     -2.848430      7.367025
  N      -3.770987     -2.823785      5.292858
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002179405125
  N      -2.509477     -3.540718      2.793021
  C      -2.256696     -4.449946      1.670386
  C      -1.972983     -5.863153      2.165623
  N      -2.996699     -6.275021      3.132982
  C      -4.299471     -6.602905      2.541148
  C      -5.420209     -6.308396      3.533469
  N      -5.273281     -4.962920      4.093398
  Mo     -3.452103     -4.218505      4.407398
  N      -2.306291     -5.270000      5.648886
  C      -1.677299     -6.513418      5.196254
  C      -2.533723     -7.222219      4.151255
  H      -1.527346     -7.212008      6.034824
  H      -0.668928     -6.312719      4.783791
  H      -3.424513     -7.633337      4.648249
  H      -1.976337     -8.069658      3.705278
  H      -6.375269     -6.418173      2.997274
  H      -5.428736     -7.078672      4.328485
  H      -4.433396     -5.957416      1.661750
  H      -4.344037     -7.656837      2.201751
  H      -1.395436     -4.119867      1.069958
  H      -3.122270     -4.457669      0.981246
  H      -1.003581     -5.869459      2.685431
  H      -1.902936     -6.567657      1.313105
  C       0.191332     -2.322444      2.054373
  N      -0.890385     -1.641671      2.759561
  C      -2.262541     -2.099562      2.543614
  C      -2.798947     -1.636517      1.174785
  C      -4.265114     -1.945316      0.980264
  C      -5.220080     -1.562915      1.935618
  C      -6.571743     -1.856697      1.756626
  C      -6.997972     -2.542430      0.615925
  C      -6.061192     -2.926443     -0.344988
  C      -4.708307     -2.628614     -0.160130
  C      -6.732174     -5.855840      6.568374
  N      -6.678128     -4.480283      6.086939
  C      -6.486197     -4.294972      4.648895
  C      -7.757662     -4.615179      3.851778
  C      -8.868090     -3.587773      3.935775
  C      -9.815012     -3.549424      2.898732
  C     -10.851898     -2.616890      2.897770
  C     -10.961532     -1.692869      3.940911
  C     -10.029270     -1.721889      4.979040
  C      -8.993620     -2.661416      4.979430
  C      -3.332171     -6.633599      8.077694
  N      -2.977734     -5.219768      8.034773
  C      -1.993669     -4.820180      7.030288
  C      -0.563313     -5.204237      7.477060
  C      -0.091615     -4.361264      8.631549
  C      -0.308590     -4.755039      9.958757
  C       0.105933     -3.949851     11.021520
  C       0.743948     -2.731696     10.772652
  C       0.964563     -2.326816      9.453977
  C       0.549768     -3.137082      8.395320
  H       0.303552     -3.394995      2.309458
  H       1.139387     -1.821584      2.297737
  H       0.049659     -2.239259      0.966961
  H      -0.709087     -1.686308      3.764096
  H      -2.843297     -1.577920      3.314481
  H      -2.221509     -2.078814      0.349442
  H      -2.629175     -0.549446      1.126865
  H      -4.902761     -1.038705      2.839463
  H      -7.298264     -1.559207      2.515046
  H      -8.056122     -2.773510      0.482905
  H      -6.382058     -3.458843     -1.242723
  H      -3.978173     -2.929394     -0.916263
  H      -6.914496     -5.849155      7.652339
  H      -7.569238     -6.391167      6.098027
  H      -5.807808     -6.436196      6.383746
  H      -5.906272     -3.991584      6.548632
  H      -6.292163     -3.220370      4.529619
  H      -7.476578     -4.698497      2.790845
  H      -8.158990     -5.601502      4.139494
  H      -9.725209     -4.259207      2.071917
  H     -11.572115     -2.605420      2.077161
  H     -11.767188     -0.956518      3.942444
  H     -10.104493     -1.006256      5.800354
  H      -8.281454     -2.696835      5.804195
  H      -2.467342     -7.235068      8.396715
  H      -3.696072     -7.037827      7.111476
  H      -4.126840     -6.777262      8.822384
  H      -3.819633     -4.661585      7.883045
  H      -2.043158     -3.723803      7.002792
  H       0.112568     -5.060689      6.620968
  H      -0.520947     -6.268868      7.749846
  H      -0.815060     -5.701574     10.157758
  H      -0.070908     -4.274181     12.048902
  H       1.069112     -2.101937     11.602649
  H       1.463922     -1.377956      9.248667
  H       0.725838     -2.816546      7.364800
  N      -3.769179     -2.826668      5.294467
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002296278439
  N      -2.512352     -3.544129      2.796889
  C      -2.265586     -4.451794      1.671679
  C      -1.986677     -5.867552      2.163106
  N      -3.008590     -6.278514      3.132918
  C      -4.313487     -6.604262      2.544233
  C      -5.433688     -6.302814      3.535462
  N      -5.282715     -4.955015      4.087635
  Mo     -3.458298     -4.221886      4.409221
  N      -2.317858     -5.280063      5.650343
  C      -1.684929     -6.519595      5.191872
  C      -2.543895     -7.227365      4.148734
  H      -1.528693     -7.219939      6.027713
  H      -0.678884     -6.313486      4.776509
  H      -3.433801     -7.637188      4.648650
  H      -1.989196     -8.075294      3.700352
  H      -6.387884     -6.412667      2.997955
  H      -5.446106     -7.069057      4.334666
  H      -4.446372     -5.960780      1.663146
  H      -4.361468     -7.658941      2.207782
  H      -1.403828     -4.123370      1.071016
  H      -3.132437     -4.453908      0.983985
  H      -1.015603     -5.878487      2.679654
  H      -1.921522     -6.570429      1.308877
  C       0.192182     -2.334369      2.054862
  N      -0.885279     -1.652204      2.764958
  C      -2.259311     -2.103494      2.550609
  C      -2.797567     -1.634985      1.184357
  C      -4.264546     -1.941413      0.991535
  C      -5.217147     -1.565106      1.951998
  C      -6.569006     -1.859791      1.775565
  C      -6.998017     -2.538606      0.631713
  C      -6.063861     -2.914907     -0.334702
  C      -4.710613     -2.617601     -0.151773
  C      -6.652572     -5.772124      6.599302
  N      -6.664645     -4.409576      6.079702
  C      -6.490960     -4.270919      4.633575
  C      -7.773369     -4.622627      3.866074
  C      -8.882700     -3.592341      3.927020
  C      -9.818499     -3.562291      2.879897
  C     -10.854128     -2.628323      2.859288
  C     -10.973167     -1.694299      3.892221
  C     -10.051574     -1.714610      4.940238
  C      -9.017726     -2.655531      4.960588
  C      -3.280676     -6.696089      8.089497
  N      -2.972199     -5.271666      8.042616
  C      -2.006041     -4.838926      7.034370
  C      -0.563205     -5.195154      7.462581
  C      -0.098887     -4.357446      8.623862
  C      -0.293618     -4.773762      9.947626
  C       0.115571     -3.974907     11.017256
  C       0.726690     -2.740776     10.778776
  C       0.923938     -2.313000      9.463623
  C       0.514055     -3.116851      8.398150
  H       0.304648     -3.406946      2.310219
  H       1.142090     -1.834508      2.293243
  H       0.045346     -2.252288      0.968123
  H      -0.702155     -1.701473      3.768955
  H      -2.836288     -1.581931      3.324425
  H      -2.222672     -2.075385      0.356112
  H      -2.626152     -0.547992      1.140064
  H      -4.897873     -1.045689      2.857862
  H      -7.293461     -1.568870      2.538518
  H      -8.056358     -2.769368      0.500066
  H      -6.387043     -3.441301     -1.235145
  H      -3.982686     -2.913681     -0.911896
  H      -6.829955     -5.746334      7.683790
  H      -7.464955     -6.358352      6.146379
  H      -5.701220     -6.309847      6.421909
  H      -5.906593     -3.876543      6.515052
  H      -6.303808     -3.200004      4.475504
  H      -7.509470     -4.744182      2.804661
  H      -8.167835     -5.598099      4.197808
  H      -9.721066     -4.279721      2.060549
  H     -11.565731     -2.623588      2.031135
  H     -11.777705     -0.956853      3.878320
  H     -10.134036     -0.990702      5.753595
  H      -8.312128     -2.684293      5.791427
  H      -2.397573     -7.267936      8.412736
  H      -3.629805     -7.115550      7.124157
  H      -4.072919     -6.862232      8.831994
  H      -3.832674     -4.741509      7.894980
  H      -2.080952     -3.743796      7.018287
  H       0.099420     -5.023415      6.601268
  H      -0.491866     -6.262352      7.718897
  H      -0.777250     -5.733821     10.138818
  H      -0.043230     -4.317183     12.041796
  H       1.048222     -2.116237     11.614104
  H       1.401585     -1.351337      9.266349
  H       0.672672     -2.778738      7.370378
  N      -3.771756     -2.831714      5.300329
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002459966504
  N      -2.533586     -3.552113      2.786917
  C      -2.307320     -4.461096      1.658494
  C      -2.015292     -5.875911      2.146671
  N      -3.013306     -6.290142      3.139670
  C      -4.327204     -6.633542      2.581544
  C      -5.431917     -6.325322      3.588873
  N      -5.283495     -4.966375      4.111181
  Mo     -3.458383     -4.228506      4.411642
  N      -2.304635     -5.279908      5.645797
  C      -1.653650     -6.506830      5.176773
  C      -2.518320     -7.230170      4.149563
  H      -1.469202     -7.204238      6.009008
  H      -0.659057     -6.279842      4.745186
  H      -3.394010     -7.648743      4.667277
  H      -1.961996     -8.072897      3.693508
  H      -6.394529     -6.454321      3.070784
  H      -5.422739     -7.074381      4.404800
  H      -4.482990     -6.003489      1.694140
  H      -4.373694     -7.693019      2.260489
  H      -1.457519     -4.130930      1.041789
  H      -3.187328     -4.465770      0.987245
  H      -1.032962     -5.882524      2.641760
  H      -1.965721     -6.580344      1.292773
  C       0.174567     -2.380953      2.040398
  N      -0.889136     -1.679354      2.751835
  C      -2.268911     -2.113485      2.542913
  C      -2.808614     -1.635939      1.180907
  C      -4.278225     -1.931037      0.988272
  C      -5.226538     -1.562267      1.956266
  C      -6.580851     -1.844677      1.777396
  C      -7.016453     -2.503565      0.624306
  C      -6.086694     -2.870261     -0.349967
  C      -4.730860     -2.585507     -0.164741
  C      -6.669032     -5.752027      6.628838
  N      -6.661877     -4.394581      6.095184
  C      -6.487232     -4.271137      4.647018
  C      -7.772468     -4.632426      3.886419
  C      -8.868045     -3.587326      3.918694
  C      -9.770566     -3.533321      2.844345
  C     -10.789598     -2.581709      2.801124
  C     -10.924051     -1.654354      3.837984
  C     -10.035034     -1.698662      4.913411
  C      -9.018648     -2.656940      4.956671
  C      -3.202573     -6.759815      8.082784
  N      -2.949191     -5.324935      8.040010
  C      -2.002674     -4.847214      7.033554
  C      -0.546110     -5.159255      7.447167
  C      -0.105761     -4.331215      8.624565
  C      -0.258990     -4.792392      9.938661
  C       0.129716     -4.004911     11.024298
  C       0.679527     -2.737409     10.811546
  C       0.833276     -2.264187      9.506075
  C       0.443356     -3.056670      8.424740
  H       0.273898     -3.452738      2.305680
  H       1.132946     -1.892056      2.267518
  H       0.020791     -2.309052      0.953942
  H      -0.704464     -1.731068      3.755577
  H      -2.836340     -1.588931      3.322000
  H      -2.238662     -2.074951      0.348303
  H      -2.630379     -0.549701      1.142064
  H      -4.902837     -1.056701      2.868274
  H      -7.301872     -1.560950      2.546181
  H      -8.076768     -2.722651      0.488957
  H      -6.415513     -3.379099     -1.258385
  H      -4.006569     -2.876165     -0.930451
  H      -6.858229     -5.714837      7.711084
  H      -7.484248     -6.331934      6.172108
  H      -5.721084     -6.301425      6.463229
  H      -5.908457     -3.857441      6.532812
  H      -6.297258     -3.203018      4.472688
  H      -7.510038     -4.784163      2.828592
  H      -8.174812     -5.595323      4.245697
  H      -9.659986     -4.244656      2.021339
  H     -11.475544     -2.557712      1.951934
  H     -11.715630     -0.903576      3.805966
  H     -10.129979     -0.979713      5.729819
  H      -8.334690     -2.705319      5.805412
  H      -2.296518     -7.297263      8.401156
  H      -3.538249     -7.189747      7.117130
  H      -3.986758     -6.957960      8.825951
  H      -3.830073     -4.827888      7.897383
  H      -2.115388     -3.755064      7.031639
  H       0.102569     -4.942902      6.585091
  H      -0.429966     -6.228499      7.678128
  H      -0.691765     -5.780259     10.110389
  H       0.004502     -4.382781     12.041000
  H       0.985788     -2.122169     11.659378
  H       1.262015     -1.275965      9.328714
  H       0.569293     -2.683407      7.404516
  N      -3.767163     -2.838979      5.305182
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002588220133
  N      -2.539434     -3.557878      2.790144
  C      -2.325308     -4.466556      1.659181
  C      -2.036419     -5.882878      2.143383
  N      -3.029693     -6.293997      3.142147
  C      -4.346591     -6.638780      2.592696
  C      -5.444157     -6.325062      3.606206
  N      -5.294998     -4.961175      4.116188
  Mo     -3.468024     -4.228332      4.414284
  N      -2.319452     -5.285001      5.648713
  C      -1.660991     -6.505684      5.171929
  C      -2.528223     -7.233232      4.149740
  H      -1.461831     -7.203120      6.000461
  H      -0.672954     -6.268060      4.731319
  H      -3.400161     -7.653774      4.671983
  H      -1.971788     -8.074408      3.691042
  H      -6.410394     -6.461196      3.096712
  H      -5.426667     -7.066946      4.428366
  H      -4.507793     -6.012921      1.703132
  H      -4.395296     -7.699844      2.277131
  H      -1.477583     -4.140881      1.037178
  H      -3.209602     -4.466101      0.993406
  H      -1.051106     -5.894127      2.632684
  H      -1.995359     -6.586488      1.288530
  C       0.177001     -2.401265      2.037011
  N      -0.879692     -1.700484      2.759839
  C      -2.263844     -2.120697      2.549145
  C      -2.795378     -1.636057      1.186802
  C      -4.265072     -1.923110      0.984659
  C      -5.216935     -1.558955      1.950134
  C      -6.571576     -1.833072      1.760970
  C      -7.003714     -2.480118      0.600098
  C      -6.070144     -2.842867     -0.372145
  C      -4.714136     -2.565492     -0.176884
  C      -6.646580     -5.721582      6.655916
  N      -6.655525     -4.369804      6.106472
  C      -6.497033     -4.263037      4.653924
  C      -7.789165     -4.639372      3.911857
  C      -8.879665     -3.588422      3.920318
  C      -9.758022     -3.529647      2.826465
  C     -10.774297     -2.576274      2.763575
  C     -10.930381     -1.651938      3.800042
  C     -10.065961     -1.701286      4.895145
  C      -9.052769     -2.661955      4.958463
  C      -3.152559     -6.793531      8.105304
  N      -2.930470     -5.353853      8.053531
  C      -2.009767     -4.853921      7.035265
  C      -0.540433     -5.134879      7.425606
  C      -0.105270     -4.318678      8.612767
  C      -0.206046     -4.818356      9.917653
  C       0.176713     -4.042366     11.013585
  C       0.666402     -2.747487     10.820362
  C       0.767682     -2.235998      9.524215
  C       0.384918     -3.017382      8.432352
  H       0.269781     -3.476962      2.287855
  H       1.139303     -1.921530      2.266795
  H       0.019967     -2.314201      0.952091
  H      -0.693129     -1.765137      3.762480
  H      -2.827295     -1.592301      3.328530
  H      -2.223105     -2.075376      0.356204
  H      -2.611214     -0.550604      1.151782
  H      -4.895933     -1.062754      2.868337
  H      -7.295674     -1.550295      2.527037
  H      -8.064091     -2.693781      0.457331
  H      -6.396004     -3.342903     -1.286471
  H      -3.986477     -2.852890     -0.940633
  H      -6.829173     -5.673016      7.738824
  H      -7.459581     -6.313964      6.211243
  H      -5.696174     -6.266923      6.490558
  H      -5.895913     -3.826227      6.525515
  H      -6.315038     -3.196612      4.465181
  H      -7.536590     -4.825800      2.857034
  H      -8.192336     -5.588966      4.304177
  H      -9.630320     -4.238423      2.003844
  H     -11.440656     -2.548171      1.899028
  H     -11.719268     -0.899137      3.752453
  H     -10.178071     -0.984711      5.711477
  H      -8.386896     -2.713920      5.820945
  H      -2.226574     -7.312129      8.396266
  H      -3.510127     -7.233568      7.152721
  H      -3.908143     -7.006541      8.873632
  H      -3.825139     -4.878119      7.923344
  H      -2.146686     -3.764499      7.040887
  H       0.089892     -4.886391      6.558450
  H      -0.392606     -6.204675      7.634710
  H      -0.592736     -5.827733     10.074483
  H       0.092706     -4.450189     12.022875
  H       0.967482     -2.140798     11.676165
  H       1.149671     -1.226167      9.362420
  H       0.468582     -2.613613      7.419359
  N      -3.770868     -2.836654      5.306630
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002665834972
  N      -2.547600     -3.566543      2.785517
  C      -2.342152     -4.477930      1.655098
  C      -2.047366     -5.892148      2.140633
  N      -3.034655     -6.302015      3.145701
  C      -4.353172     -6.652588      2.604446
  C      -5.443672     -6.336539      3.624460
  N      -5.298201     -4.967450      4.122732
  Mo     -3.471675     -4.231533      4.413815
  N      -2.323350     -5.285732      5.650565
  C      -1.658696     -6.502483      5.171492
  C      -2.525484     -7.237152      4.153733
  H      -1.449143     -7.197633      5.999393
  H      -0.675591     -6.257177      4.724182
  H      -3.393362     -7.661444      4.679364
  H      -1.965966     -8.075936      3.694586
  H      -6.414194     -6.483621      3.126372
  H      -5.412761     -7.071886      4.451857
  H      -4.521687     -6.032497      1.712244
  H      -4.400911     -7.715723      2.295706
  H      -1.499739     -4.154138      1.024951
  H      -3.231475     -4.480574      0.996196
  H      -1.059466     -5.900680      2.624808
  H      -2.010312     -6.597574      1.287131
  C       0.170014     -2.424780      2.021993
  N      -0.879204     -1.716805      2.749230
  C      -2.266908     -2.130251      2.542329
  C      -2.795267     -1.643535      1.179858
  C      -4.265903     -1.922264      0.973928
  C      -5.217440     -1.560278      1.939932
  C      -6.573696     -1.821929      1.744436
  C      -7.007508     -2.455457      0.576931
  C      -6.073794     -2.818193     -0.395404
  C      -4.716358     -2.552531     -0.194037
  C      -6.644586     -5.725562      6.670338
  N      -6.659341     -4.375989      6.115869
  C      -6.501388     -4.271173      4.663781
  C      -7.794850     -4.644898      3.922639
  C      -8.874813     -3.583866      3.922061
  C      -9.727394     -3.498121      2.809964
  C     -10.733074     -2.533912      2.740911
  C     -10.904319     -1.626540      3.789835
  C     -10.065997     -1.703427      4.903604
  C      -9.063672     -2.674938      4.972904
  C      -3.116264     -6.808845      8.110047
  N      -2.912041     -5.366580      8.060248
  C      -2.009178     -4.851160      7.035139
  C      -0.531660     -5.107212      7.413343
  C      -0.106643     -4.301376      8.611143
  C      -0.162187     -4.835054      9.905098
  C       0.206181     -4.068856     11.012640
  C       0.633633     -2.749376     10.842752
  C       0.691449     -2.204399      9.557668
  C       0.325253     -2.976541      8.453696
  H       0.252741     -3.502201      2.268347
  H       1.137028     -1.954538      2.250968
  H       0.011139     -2.331885      0.937816
  H      -0.689763     -1.783673      3.751208
  H      -2.826338     -1.597654      3.321646
  H      -2.222905     -2.084582      0.350347
  H      -2.605943     -0.558937      1.145065
  H      -4.895289     -1.074488      2.863436
  H      -7.297986     -1.537878      2.509822
  H      -8.068931     -2.660733      0.430053
  H      -6.400682     -3.308848     -1.314430
  H      -3.988492     -2.838931     -0.957938
  H      -6.825048     -5.671766      7.753273
  H      -7.456806     -6.322859      6.230818
  H      -5.694191     -6.271113      6.506868
  H      -5.899491     -3.830267      6.531886
  H      -6.320841     -3.204582      4.477140
  H      -7.544522     -4.845866      2.870295
  H      -8.206655     -5.586612      4.324496
  H      -9.587499     -4.193492      1.978094
  H     -11.379018     -2.484133      1.861956
  H     -11.684552     -0.865091      3.737579
  H     -10.190564     -1.000379      5.729797
  H      -8.416319     -2.746234      5.847918
  H      -2.174447     -7.319139      8.361986
  H      -3.504716     -7.247453      7.169134
  H      -3.837644     -7.036796      8.906727
  H      -3.814251     -4.901719      7.944190
  H      -2.164237     -3.764135      7.043569
  H       0.087550     -4.832625      6.545913
  H      -0.360542     -6.176628      7.605901
  H      -0.503381     -5.863245     10.044538
  H       0.157079     -4.502992     12.013139
  H       0.922205     -2.149778     11.707825
  H       1.026351     -1.175304      9.413919
  H       0.373651     -2.546000      7.449741
  N      -3.773084     -2.836605      5.301656
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002693505823
  N      -2.541009     -3.569623      2.774888
  C      -2.341622     -4.485092      1.646774
  C      -2.048197     -5.898112      2.136420
  N      -3.034984     -6.302636      3.144317
  C      -4.354837     -6.653299      2.606163
  C      -5.443079     -6.330407      3.626335
  N      -5.295927     -4.958495      4.116424
  Mo     -3.467678     -4.225446      4.405283
  N      -2.325542     -5.279404      5.648706
  C      -1.660663     -6.497171      5.172594
  C      -2.526377     -7.234515      4.155827
  H      -1.451516     -7.190348      6.002229
  H      -0.677563     -6.252567      4.724820
  H      -3.394542     -7.657993      4.681559
  H      -1.965847     -8.074146      3.699539
  H      -6.415365     -6.479916      3.132245
  H      -5.409771     -7.061552      4.457357
  H      -4.523607     -6.037950      1.710807
  H      -4.405041     -7.718057      2.303438
  H      -1.500961     -4.165661      1.012079
  H      -3.233181     -4.488170      0.990981
  H      -1.059720     -5.906669      2.619260
  H      -2.013694     -6.606335      1.285054
  C       0.178764     -2.435828      1.994141
  N      -0.865144     -1.725874      2.727283
  C      -2.254918     -2.135516      2.526283
  C      -2.786159     -1.651164      1.164242
  C      -4.258199     -1.926448      0.964751
  C      -5.204622     -1.562023      1.934967
  C      -6.562279     -1.821314      1.746032
  C      -7.002753     -2.453156      0.580111
  C      -6.074105     -2.818736     -0.396035
  C      -4.715150     -2.557023     -0.200503
  C      -6.630805     -5.709049      6.672073
  N      -6.648934     -4.361412      6.113738
  C      -6.497369     -4.262144      4.661122
  C      -7.793568     -4.641058      3.926641
  C      -8.876389     -3.582781      3.930283
  C      -9.731003     -3.495422      2.819969
  C     -10.739090     -2.533212      2.755269
  C     -10.911100     -1.629771      3.807212
  C     -10.070853     -1.708136      4.919479
  C      -9.066088     -2.677277      4.984235
  C      -3.103837     -6.815524      8.104562
  N      -2.911130     -5.371510      8.058978
  C      -2.013791     -4.846108      7.034088
  C      -0.533632     -5.091348      7.409736
  C      -0.117778     -4.294665      8.616835
  C      -0.153101     -4.849617      9.902526
  C       0.204054     -4.092645     11.019971
  C       0.599787     -2.761303     10.868703
  C       0.637980     -2.195182      9.592030
  C       0.283126     -2.958060      8.478011
  H       0.259285     -3.513993      2.237427
  H       1.148178     -1.969110      2.219780
  H       0.015594     -2.339556      0.910981
  H      -0.671046     -1.794168      3.728234
  H      -2.810044     -1.598608      3.305680
  H      -2.217793     -2.096252      0.334139
  H      -2.593818     -0.567258      1.125670
  H      -4.877309     -1.077185      2.857055
  H      -7.282507     -1.536459      2.515018
  H      -8.065337     -2.656304      0.438242
  H      -6.406146     -3.309191     -1.313381
  H      -3.991380     -2.846289     -0.967165
  H      -6.796031     -5.650819      7.757201
  H      -7.450667     -6.305655      6.245745
  H      -5.684452     -6.258209      6.497831
  H      -5.886878     -3.814448      6.524346
  H      -6.318466     -3.195770      4.469922
  H      -7.548268     -4.844448      2.873779
  H      -8.201090     -5.582671      4.333378
  H      -9.591504     -4.188441      1.986128
  H     -11.386553     -2.482501      1.877511
  H     -11.693394     -0.870179      3.758769
  H     -10.196303     -1.008244      5.748223
  H      -8.416709     -2.746997      5.857673
  H      -2.154693     -7.319659      8.340804
  H      -3.501962     -7.252916      7.166818
  H      -3.810388     -7.054281      8.911453
  H      -3.817171     -4.913144      7.948045
  H      -2.177380     -3.760396      7.044487
  H       0.082123     -4.800523      6.545061
  H      -0.352203     -6.161038      7.590790
  H      -0.469845     -5.887443     10.027678
  H       0.170972     -4.543459     12.013772
  H       0.879457     -2.168674     11.741482
  H       0.948311     -1.156519      9.462702
  H       0.315828     -2.510665      7.480915
  N      -3.765583     -2.825663      5.286531
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002712755625
  N      -2.542102     -3.571546      2.766517
  C      -2.345914     -4.489801      1.640133
  C      -2.051535     -5.901655      2.132958
  N      -3.037004     -6.303568      3.143511
  C      -4.358151     -6.654739      2.608268
  C      -5.444263     -6.328244      3.629489
  N      -5.294837     -4.955499      4.116231
  Mo     -3.465819     -4.222751      4.400692
  N      -2.325316     -5.275662      5.646681
  C      -1.661586     -6.494757      5.172282
  C      -2.527471     -7.233335      4.156637
  H      -1.453573     -7.186892      6.002864
  H      -0.678166     -6.251907      4.724117
  H      -3.395225     -7.656987      4.682927
  H      -1.966160     -8.073052      3.701469
  H      -6.418460     -6.477980      3.139203
  H      -5.409070     -7.058042      4.461715
  H      -4.527587     -6.042220      1.711149
  H      -4.409958     -7.720375      2.309021
  H      -1.507278     -4.172114      1.001855
  H      -3.239183     -4.494514      0.986715
  H      -1.062481     -5.908682      2.614518
  H      -2.018183     -6.612141      1.283375
  C       0.178521     -2.447624      1.986158
  N      -0.864020     -1.729478      2.713470
  C      -2.254284     -2.138850      2.514112
  C      -2.785360     -1.657671      1.150926
  C      -4.257226     -1.933769      0.951441
  C      -5.203673     -1.571043      1.922447
  C      -6.561390     -1.829871      1.733027
  C      -7.001720     -2.459343      0.565781
  C      -6.073027     -2.823377     -0.410924
  C      -4.714113     -2.562526     -0.214782
  C      -6.616327     -5.706255      6.675861
  N      -6.643354     -4.359297      6.116708
  C      -6.494745     -4.259670      4.663911
  C      -7.792452     -4.638870      3.931295
  C      -8.872915     -3.578233      3.937438
  C      -9.712523     -3.468647      2.817766
  C     -10.718105     -2.503343      2.757387
  C     -10.902592     -1.619219      3.823410
  C     -10.077229     -1.719801      4.945135
  C      -9.074943     -2.691740      5.005206
  C      -3.093797     -6.813184      8.109212
  N      -2.909693     -5.368481      8.057052
  C      -2.013706     -4.841111      7.031589
  C      -0.532063     -5.079040      7.405729
  C      -0.123724     -4.288789      8.619581
  C      -0.131560     -4.862820      9.897334
  C       0.216794     -4.113087     11.022355
  C       0.576354     -2.769997     10.886873
  C       0.587304     -2.184820      9.618211
  C       0.241070     -2.940386      8.496608
  H       0.252182     -3.525199      2.233742
  H       1.149531     -1.985216      2.213514
  H       0.019795     -2.354022      0.902106
  H      -0.670474     -1.791723      3.714923
  H      -2.808509     -1.599290      3.292315
  H      -2.216066     -2.103533      0.321794
  H      -2.593544     -0.573754      1.110497
  H      -4.876525     -1.087774      2.845251
  H      -7.281712     -1.546786      2.502597
  H      -8.064527     -2.661131      0.422878
  H      -6.405141     -3.311965     -1.329287
  H      -3.990215     -2.850892     -0.981641
  H      -6.777412     -5.648056      7.761675
  H      -7.434407     -6.308007      6.253343
  H      -5.667301     -6.249676      6.498471
  H      -5.884839     -3.806937      6.526930
  H      -6.315296     -3.193003      4.472700
  H      -7.549576     -4.843938      2.878331
  H      -8.200624     -5.579570      4.340025
  H      -9.563227     -4.146671      1.973375
  H     -11.353612     -2.435198      1.872134
  H     -11.682896     -0.857322      3.778798
  H     -10.212830     -1.035357      5.785121
  H      -8.437304     -2.778114      5.886183
  H      -2.140093     -7.310903      8.340341
  H      -3.496280     -7.256471      7.175970
  H      -3.791720     -7.053550      8.923204
  H      -3.818337     -4.916217      7.942719
  H      -2.181511     -3.755976      7.039941
  H       0.080889     -4.776097      6.543189
  H      -0.343336     -6.148691      7.578578
  H      -0.419756     -5.910407     10.010289
  H       0.205486     -4.578953     12.009725
  H       0.849110     -2.182702     11.765433
  H       0.869224     -1.136678      9.501012
  H       0.252161     -2.477693      7.506022
  N      -3.761471     -2.819724      5.277715
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002726922577
  N      -2.536287     -3.572545      2.758472
  C      -2.338363     -4.494035      1.635088
  C      -2.046457     -5.904885      2.132326
  N      -3.035367     -6.303391      3.140815
  C      -4.356028     -6.651856      2.602804
  C      -5.444310     -6.322294      3.620639
  N      -5.292461     -4.950393      4.109497
  Mo     -3.462537     -4.219017      4.393601
  N      -2.326973     -5.271719      5.644823
  C      -1.666106     -6.493987      5.174591
  C      -2.530594     -7.231879      4.157225
  H      -1.463932     -7.185491      6.007030
  H      -0.680111     -6.255914      4.729438
  H      -3.400668     -7.653995      4.680953
  H      -1.968408     -8.072829      3.705311
  H      -6.417502     -6.468110      3.127437
  H      -5.414185     -7.053619      4.451768
  H      -4.521181     -6.040078      1.704377
  H      -4.409905     -7.717651      2.304502
  H      -1.498589     -4.178743      0.997164
  H      -3.230321     -4.499763      0.979882
  H      -1.059047     -5.911068      2.617306
  H      -2.010749     -6.617506      1.284639
  C       0.186294     -2.453280      1.977204
  N      -0.856688     -1.731281      2.700351
  C      -2.246782     -2.141153      2.501961
  C      -2.777443     -1.663622      1.136976
  C      -4.249358     -1.940182      0.938703
  C      -5.195584     -1.572170      1.908085
  C      -6.553315     -1.832302      1.720778
  C      -6.993930     -2.468067      0.557020
  C      -6.065660     -2.836895     -0.418200
  C      -4.706722     -2.574991     -0.224016
  C      -6.618651     -5.707233      6.669374
  N      -6.639376     -4.359114      6.112993
  C      -6.491601     -4.255408      4.660182
  C      -7.790418     -4.631072      3.926896
  C      -8.874159     -3.573751      3.946527
  C      -9.713624     -3.450641      2.828138
  C     -10.723583     -2.489069      2.781471
  C     -10.913027     -1.622213      3.860620
  C     -10.087920     -1.736289      4.981268
  C      -9.081181     -2.704398      5.027390
  C      -3.094756     -6.803740      8.116520
  N      -2.913786     -5.359065      8.055219
  C      -2.015936     -4.835092      7.029432
  C      -0.534835     -5.072441      7.405454
  C      -0.130731     -4.285237      8.622830
  C      -0.120981     -4.869933      9.895794
  C       0.223585     -4.124629     11.024930
  C       0.562332     -2.775291     10.898291
  C       0.555644     -2.179493      9.634509
  C       0.212828     -2.930552      8.508896
  H       0.257356     -3.530391      2.227191
  H       1.157591     -1.992300      2.206368
  H       0.031173     -2.360911      0.892470
  H      -0.663220     -1.787906      3.702130
  H      -2.801100     -1.598877      3.278257
  H      -2.208023     -2.111919      0.309241
  H      -2.585254     -0.579880      1.093702
  H      -4.868069     -1.083661      2.827940
  H      -7.273400     -1.545737      2.489261
  H      -8.056885     -2.669967      0.415211
  H      -6.398104     -3.330101     -1.333986
  H      -3.983088     -2.867394     -0.989602
  H      -6.770339     -5.649610      7.756581
  H      -7.444737     -6.302074      6.252679
  H      -5.675063     -6.257283      6.483866
  H      -5.879683     -3.810116      6.525127
  H      -6.310278     -3.188472      4.472032
  H      -7.548706     -4.825249      2.871557
  H      -8.195040     -5.576611      4.327868
  H      -9.561500     -4.116105      1.974305
  H     -11.358792     -2.410755      1.896856
  H     -11.696872     -0.863372      3.827239
  H     -10.227399     -1.065503      5.831578
  H      -8.444368     -2.800242      5.907960
  H      -2.140357     -7.298002      8.352099
  H      -3.495535     -7.254339      7.186077
  H      -3.792050     -7.040564      8.932131
  H      -3.822944     -4.909483      7.935195
  H      -2.183163     -3.749783      7.034388
  H       0.078255     -4.765117      6.544594
  H      -0.345376     -6.142361      7.575003
  H      -0.392310     -5.922817     10.001551
  H       0.226092     -4.598897     12.008364
  H       0.832196     -2.191021     11.779762
  H       0.820893     -1.126265      9.524297
  H       0.209754     -2.459113      7.522469
  N      -3.756188     -2.812432      5.265508
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002739587913
  N      -2.531703     -3.575570      2.750835
  C      -2.332253     -4.500481      1.630338
  C      -2.045518     -5.910959      2.131765
  N      -3.037923     -6.304667      3.138654
  C      -4.358609     -6.649750      2.598736
  C      -5.448756     -6.315661      3.613201
  N      -5.293553     -4.944232      4.102226
  Mo     -3.462082     -4.216515      4.386119
  N      -2.332846     -5.269673      5.642495
  C      -1.673876     -6.494519      5.175922
  C      -2.537940     -7.232187      4.158100
  H      -1.475797     -7.185145      6.010061
  H      -0.686039     -6.259926      4.733084
  H      -3.410228     -7.651448      4.680516
  H      -1.976326     -8.075246      3.709294
  H      -6.420733     -6.457494      3.116669
  H      -5.424501     -7.047153      4.444550
  H      -4.519386     -6.038776      1.698926
  H      -4.415417     -7.715737      2.301695
  H      -1.490284     -4.188276      0.993894
  H      -3.222446     -4.505807      0.972640
  H      -1.059439     -5.918266      2.619551
  H      -2.009041     -6.625765      1.285998
  C       0.195674     -2.463632      1.975720
  N      -0.848887     -1.737480      2.692142
  C      -2.239020     -2.145333      2.491983
  C      -2.767712     -1.668681      1.125579
  C      -4.239240     -1.945877      0.925029
  C      -5.186973     -1.580373      1.894004
  C      -6.544068     -1.842478      1.705100
  C      -6.982602     -2.477309      0.539976
  C      -6.052970     -2.842912     -0.435031
  C      -4.694577     -2.579384     -0.239088
  C      -6.604113     -5.695073      6.668869
  N      -6.629648     -4.348084      6.110043
  C      -6.489811     -4.247032      4.655768
  C      -7.793219     -4.624877      3.930809
  C      -8.878656     -3.569491      3.958546
  C      -9.707750     -3.426496      2.834853
  C     -10.721091     -2.467995      2.797888
  C     -10.924407     -1.624015      3.892494
  C     -10.109392     -1.757824      5.018409
  C      -9.099387     -2.722867      5.054727
  C      -3.088342     -6.800362      8.128096
  N      -2.919735     -5.354864      8.053416
  C      -2.023301     -4.830693      7.026527
  C      -0.541444     -5.062531      7.400987
  C      -0.141369     -4.280080      8.622719
  C      -0.094058     -4.880860      9.887218
  C       0.248971     -4.141390     11.020750
  C       0.549091     -2.781727     10.906559
  C       0.504448     -2.169931      9.651109
  C       0.163018     -2.915133      8.521277
  H       0.264113     -3.539923      2.230076
  H       1.166704     -2.003432      2.207982
  H       0.045725     -2.374763      0.889893
  H      -0.657966     -1.789317      3.694659
  H      -2.793364     -1.600722      3.266708
  H      -2.196871     -2.117267      0.298963
  H      -2.575653     -0.584895      1.082153
  H      -4.861143     -1.092571      2.814850
  H      -7.265313     -1.558561      2.473465
  H      -8.045157     -2.679606      0.396071
  H      -6.383912     -3.334870     -1.352006
  H      -3.969781     -2.869697     -1.004398
  H      -6.747777     -5.635789      7.757064
  H      -7.433034     -6.291006      6.259390
  H      -5.660952     -6.244092      6.477078
  H      -5.870320     -3.795876      6.518029
  H      -6.309394     -3.180724      4.464070
  H      -7.557591     -4.817157      2.873719
  H      -8.192671     -5.571430      4.334553
  H      -9.545422     -4.074650      1.969660
  H     -11.348082     -2.374388      1.908902
  H     -11.711014     -0.867738      3.867038
  H     -10.259359     -1.104713      5.880621
  H      -8.469628     -2.834063      5.938654
  H      -2.130696     -7.283548      8.373157
  H      -3.481108     -7.264255      7.200875
  H      -3.787472     -7.034618      8.942880
  H      -3.832189     -4.914242      7.925471
  H      -2.194112     -3.745861      7.029126
  H       0.068118     -4.745862      6.540904
  H      -0.344944     -6.132138      7.563627
  H      -0.333988     -5.942402      9.982995
  H       0.280863     -4.628239     11.997480
  H       0.817865     -2.201631     11.791111
  H       0.739047     -1.108495      9.550712
  H       0.130082     -2.430736      7.541468
  N      -3.752316     -2.806686      5.253812
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002748112965
  N      -2.529459     -3.574836      2.750838
  C      -2.326204     -4.500621      1.631794
  C      -2.043191     -5.911166      2.134898
  N      -3.039533     -6.303017      3.138401
  C      -4.359082     -6.644410      2.593947
  C      -5.452188     -6.310168      3.605073
  N      -5.295293     -4.940814      4.099016
  Mo     -3.463265     -4.214828      4.384706
  N      -2.337011     -5.268597      5.643003
  C      -1.680745     -6.495862      5.178757
  C      -2.544950     -7.231513      4.159502
  H      -1.486605     -7.186572      6.013842
  H      -0.691170     -6.264535      4.738208
  H      -3.419744     -7.647626      4.680215
  H      -1.984890     -8.076664      3.712625
  H      -6.422087     -6.447318      3.102915
  H      -5.434379     -7.044162      4.434348
  H      -4.515404     -6.031348      1.694774
  H      -4.417235     -7.709709      2.294576
  H      -1.481174     -4.189481      0.998858
  H      -3.213756     -4.505157      0.970440
  H      -1.058765     -5.919751      2.626065
  H      -2.004725     -6.626308      1.289532
  C       0.198270     -2.463347      1.980805
  N      -0.848370     -1.735432      2.692201
  C      -2.237716     -2.144627      2.490512
  C      -2.763594     -1.671210      1.121832
  C      -4.234244     -1.950592      0.917974
  C      -5.185091     -1.583603      1.883194
  C      -6.541326     -1.847533      1.691049
  C      -6.975884     -2.486622      0.526725
  C      -6.043098     -2.853986     -0.444599
  C      -4.685562     -2.587927     -0.245649
  C      -6.605304     -5.692954      6.665649
  N      -6.629189     -4.345468      6.108026
  C      -6.490930     -4.243183      4.653728
  C      -7.794917     -4.620904      3.930031
  C      -8.882530     -3.568202      3.963153
  C      -9.705949     -3.414967      2.836571
  C     -10.722388     -2.459606      2.805174
  C     -10.934592     -1.629007      3.908376
  C     -10.124906     -1.772809      5.036891
  C      -9.111770     -2.734755      5.067640
  C      -3.091801     -6.789763      8.137666
  N      -2.921736     -5.344789      8.054787
  C      -2.024992     -4.826276      7.025711
  C      -0.543654     -5.061449      7.399758
  C      -0.140562     -4.281212      8.622135
  C      -0.074649     -4.888101      9.882803
  C       0.272212     -4.151320     11.016991
  C       0.557672     -2.788209     10.907080
  C       0.495272     -2.170505      9.655281
  C       0.150170     -2.912976      8.524808
  H       0.266735     -3.538755      2.239131
  H       1.168543     -2.001870      2.213811
  H       0.050846     -2.378436      0.894257
  H      -0.659507     -1.782759      3.695306
  H      -2.794203     -1.598873      3.262848
  H      -2.190143     -2.121038      0.297659
  H      -2.572601     -0.587319      1.076682
  H      -4.862394     -1.092849      2.803646
  H      -7.265110     -1.561535      2.456249
  H      -8.037745     -2.690713      0.380196
  H      -6.370831     -3.349228     -1.360922
  H      -3.958243     -2.879432     -1.008117
  H      -6.745483     -5.634037      7.754300
  H      -7.437370     -6.286179      6.258615
  H      -5.664342     -6.244582      6.470714
  H      -5.868807     -3.794548      6.515633
  H      -6.311262     -3.176814      4.462711
  H      -7.559887     -4.808395      2.871842
  H      -8.191249     -5.569788      4.331050
  H      -9.537032     -4.052918      1.965084
  H     -11.344965     -2.358152      1.913931
  H     -11.723803     -0.875325      3.887378
  H     -10.281446     -1.129871      5.905574
  H      -8.484859     -2.853739      5.952523
  H      -2.135251     -7.272161      8.388362
  H      -3.482774     -7.259395      7.212731
  H      -3.793885     -7.017723      8.951679
  H      -3.833668     -4.903752      7.924209
  H      -2.192989     -3.741025      7.025998
  H       0.065985     -4.745550      6.539325
  H      -0.348459     -6.131404      7.561306
  H      -0.303175     -5.952480      9.975277
  H       0.318139     -4.642895     11.990746
  H       0.829370     -2.210063     11.792006
  H       0.718962     -1.106394      9.558289
  H       0.103396     -2.423719      7.548116
  N      -3.752465     -2.804490      5.251774
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002752242192
  N      -2.527269     -3.575982      2.750109
  C      -2.322351     -4.502631      1.632056
  C      -2.041738     -5.913103      2.136546
  N      -3.039955     -6.303190      3.138724
  C      -4.358921     -6.642984      2.592070
  C      -5.453660     -6.308166      3.601184
  N      -5.296109     -4.939499      4.096388
  Mo     -3.463652     -4.214673      4.382956
  N      -2.338923     -5.267986      5.642699
  C      -1.683743     -6.496603      5.180433
  C      -2.548328     -7.231810      4.161175
  H      -1.491180     -7.186732      6.016383
  H      -0.693449     -6.266744      4.740797
  H      -3.424553     -7.645054      4.681749
  H      -1.990037     -8.078879      3.715786
  H      -6.422046     -6.443640      3.095488
  H      -5.439440     -7.042452      4.430232
  H      -4.513205     -6.029097      1.693141
  H      -4.417653     -7.708049      2.291852
  H      -1.475275     -4.192730      1.001275
  H      -3.208334     -4.506535      0.968621
  H      -1.057897     -5.922833      2.628865
  H      -2.003000     -6.628738      1.291575
  C       0.200611     -2.463090      1.980529
  N      -0.846926     -1.735732      2.690924
  C      -2.236001     -2.145637      2.488752
  C      -2.761019     -1.673523      1.119322
  C      -4.231588     -1.952788      0.914539
  C      -5.183082     -1.585733      1.878985
  C      -6.539215     -1.849394      1.685709
  C      -6.973052     -2.488385      0.521064
  C      -6.039533     -2.856036     -0.449514
  C      -4.682091     -2.590131     -0.249444
  C      -6.603457     -5.687853      6.664737
  N      -6.626980     -4.340892      6.105933
  C      -6.491131     -4.240693      4.651501
  C      -7.795998     -4.619461      3.930091
  C      -8.884880     -3.568379      3.965897
  C      -9.706357     -3.411218      2.838396
  C     -10.724308     -2.457368      2.809699
  C     -10.940093     -1.632527      3.916539
  C     -10.132264     -1.780215      5.045875
  C      -9.117557     -2.740503      5.073957
  C      -3.094290     -6.784047      8.140462
  N      -2.922510     -5.339309      8.055054
  C      -2.026141     -4.823324      7.024589
  C      -0.545043     -5.059353      7.398892
  C      -0.141027     -4.281342      8.622519
  C      -0.062512     -4.893201      9.879967
  C       0.285373     -4.158692     11.015365
  C       0.559033     -2.792930     10.909904
  C       0.484490     -2.170274      9.661206
  C       0.138562     -2.910396      8.529486
  H       0.270918     -3.537953      2.240907
  H       1.170289     -1.999663      2.212048
  H       0.052290     -2.380923      0.893912
  H      -0.658731     -1.781809      3.694198
  H      -2.793313     -1.599454      3.260128
  H      -2.187177     -2.124337      0.295987
  H      -2.569889     -0.589700      1.073222
  H      -4.861013     -1.095301      2.799875
  H      -7.263554     -1.562736      2.450163
  H      -8.034724     -2.692657      0.373580
  H      -6.366581     -3.351427     -1.365981
  H      -3.954293     -2.881568     -1.011478
  H      -6.739199     -5.627317      7.753872
  H      -7.438732     -6.279560      6.261994
  H      -5.664773     -6.242208      6.466724
  H      -5.864916     -3.790501      6.511227
  H      -6.312555     -3.174450      4.458785
  H      -7.562336     -4.805386      2.871337
  H      -8.190024     -5.569360      4.330829
  H      -9.534925     -4.044786      1.964232
  H     -11.345366     -2.352695      1.917753
  H     -11.730729     -0.880290      3.897580
  H     -10.291623     -1.141693      5.917307
  H      -8.490486     -2.862511      5.958261
  H      -2.138148     -7.266929      8.391594
  H      -3.486300     -7.255006      7.216644
  H      -3.796965     -7.009446      8.954662
  H      -3.834056     -4.897167      7.925477
  H      -2.193274     -3.737992      7.023794
  H       0.065344     -4.743294      6.538893
  H      -0.349466     -6.129402      7.559459
  H      -0.281955     -5.959793      9.969204
  H       0.341031     -4.654212     11.986588
  H       0.831370     -2.216616     11.795825
  H       0.699305     -1.104004      9.567710
  H       0.082456     -2.417143      7.555377
  N      -3.752173     -2.804178      5.249826
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002753759981
  N      -2.526619     -3.576636      2.749632
  C      -2.321562     -4.503561      1.631871
  C      -2.041655     -5.914000      2.136965
  N      -3.040216     -6.303332      3.139102
  C      -4.359056     -6.642853      2.591845
  C      -5.454275     -6.307758      3.600317
  N      -5.296342     -4.939285      4.095697
  Mo     -3.463745     -4.214728      4.382285
  N      -2.338838     -5.267563      5.642178
  C      -1.684419     -6.496928      5.181011
  C      -2.549494     -7.231938      4.162036
  H      -1.492618     -7.186646      6.017458
  H      -0.693789     -6.268056      4.741577
  H      -3.426251     -7.643668      4.682937
  H      -1.992341     -8.080001      3.717172
  H      -6.422117     -6.442886      3.093394
  H      -5.441334     -7.041908      4.429485
  H      -4.512923     -6.028741      1.693022
  H      -4.417808     -7.707855      2.291395
  H      -1.473664     -4.194372      1.001813
  H      -3.206980     -4.507055      0.967726
  H      -1.057820     -5.924103      2.629241
  H      -2.003213     -6.629926      1.292193
  C       0.201099     -2.463501      1.979740
  N      -0.846372     -1.736105      2.690143
  C      -2.235419     -2.146290      2.487872
  C      -2.760159     -1.674775      1.118237
  C      -4.230868     -1.953458      0.913636
  C      -5.182116     -1.585594      1.877991
  C      -6.538440     -1.848548      1.684873
  C      -6.972669     -2.487554      0.520437
  C      -6.039356     -2.856185     -0.450050
  C      -4.681782     -2.591057     -0.250096
  C      -6.601695     -5.685320      6.665221
  N      -6.625983     -4.338775      6.105417
  C      -6.491240     -4.240072      4.650876
  C      -7.796229     -4.619631      3.930132
  C      -8.885524     -3.569017      3.966504
  C      -9.705630     -3.409986      2.838245
  C     -10.723755     -2.456259      2.810153
  C     -10.941101     -1.633653      3.918322
  C     -10.134698     -1.783244      5.048430
  C      -9.119792     -2.743297      5.075903
  C      -3.094554     -6.782306      8.139914
  N      -2.922335     -5.337621      8.054468
  C      -2.025973     -4.822174      7.023757
  C      -0.545041     -5.058177      7.398523
  C      -0.141271     -4.280992      8.622793
  C      -0.058488     -4.894858      9.878966
  C       0.289133     -4.161299     11.015072
  C       0.558145     -2.794529     10.911703
  C       0.479418     -2.169816      9.664265
  C       0.133808     -2.908940      8.531828
  H       0.271830     -3.538188      2.240757
  H       1.170743     -1.999557      2.210246
  H       0.052003     -2.382279      0.893182
  H      -0.658336     -1.781957      3.693443
  H      -2.792996     -1.600045      3.258978
  H      -2.186514     -2.126196      0.295108
  H      -2.568606     -0.591045      1.071657
  H      -4.859680     -1.095078      2.798701
  H      -7.262561     -1.561053      2.449233
  H      -8.034421     -2.691405      0.372982
  H      -6.366683     -3.351780     -1.366308
  H      -3.954206     -2.883090     -1.012109
  H      -6.734829     -5.623638      7.754635
  H      -7.438276     -6.277036      6.265126
  H      -5.663953     -6.240582      6.465569
  H      -5.862927     -3.788399      6.509060
  H      -6.313151     -3.173883      4.456961
  H      -7.563063     -4.805580      2.871311
  H      -8.189539     -5.569870      4.330883
  H      -9.533009     -4.041794      1.963055
  H     -11.343704     -2.349899      1.917633
  H     -11.731911     -0.881573      3.899737
  H     -10.295502     -1.146550      5.920934
  H      -8.493176     -2.866965      5.960339
  H      -2.138458     -7.265543      8.390491
  H      -3.487218     -7.253113      7.216211
  H      -3.797112     -7.007614      8.954251
  H      -3.833866     -4.895312      7.925546
  H      -2.192962     -3.736840      7.022626
  H       0.066242     -4.742282      6.539049
  H      -0.349389     -6.128265      7.559030
  H      -0.274343     -5.962316      9.966691
  H       0.348220     -4.658486     11.985251
  H       0.830136     -2.219027     11.798259
  H       0.690590     -1.102670      9.572415
  H       0.074546     -2.414050      7.558768
  N      -3.751931     -2.804215      5.249228
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5661736-ZxJ2/orca E -5812.002754021983
  N      -2.526242     -3.577139      2.749176
  C      -2.321427     -4.504177      1.631467
  C      -2.041819     -5.914671      2.136772
  N      -3.040259     -6.303570      3.139246
  C      -4.359120     -6.643414      2.592060
  C      -5.454452     -6.307948      3.600326
  N      -5.296373     -4.939299      4.095175
  Mo     -3.463722     -4.214833      4.381757
  N      -2.338401     -5.267286      5.641602
  C      -1.684135     -6.496871      5.180891
  C      -2.549566     -7.232002      4.162348
  H      -1.492404     -7.186288      6.017560
  H      -0.693493     -6.268289      4.741296
  H      -3.426409     -7.642964      4.683743
  H      -1.993062     -8.080548      3.717623
  H      -6.422166     -6.443308      3.093237
  H      -5.441768     -7.041714      4.429846
  H      -4.513119     -6.029481      1.693135
  H      -4.417700     -7.708475      2.291848
  H      -1.473227     -4.195439      1.001571
  H      -3.206696     -4.507390      0.967152
  H      -1.057821     -5.924991      2.628685
  H      -2.003880     -6.630768      1.292116
  C       0.201625     -2.464383      1.979575
  N      -0.845663     -1.736857      2.690146
  C      -2.234744     -2.146869      2.487497
  C      -2.759315     -1.675202      1.117916
  C      -4.230115     -1.953482      0.913363
  C      -5.181160     -1.586050      1.878106
  C      -6.537610     -1.848528      1.684979
  C      -6.972111     -2.486480      0.520104
  C      -6.038996     -2.854668     -0.450772
  C      -4.681338     -2.590164     -0.250766
  C      -6.601221     -5.683906      6.665669
  N      -6.625460     -4.337710      6.105008
  C      -6.491259     -4.239955      4.650356
  C      -7.796335     -4.620070      3.929991
  C      -8.885827     -3.569643      3.966829
  C      -9.705288     -3.409329      2.838308
  C     -10.723457     -2.455589      2.810833
  C     -10.941465     -1.634399      3.919882
  C     -10.135781     -1.785353      5.050338
  C      -9.120849     -2.745355      5.077176
  C      -3.095599     -6.780880      8.139617
  N      -2.922449     -5.336342      8.053910
  C      -2.025666     -4.821677      7.023049
  C      -0.544979     -5.057972      7.398247
  C      -0.141573     -4.280801      8.622652
  C      -0.056484     -4.895402      9.878305
  C       0.290739     -4.161985     11.014628
  C       0.556967     -2.794644     10.912070
  C       0.475886     -2.169152      9.665148
  C       0.130708     -2.908120      8.532507
  H       0.272277     -3.539059      2.240611
  H       1.171379     -2.000492      2.209688
  H       0.052162     -2.383281      0.893070
  H      -0.657864     -1.783202      3.693470
  H      -2.792356     -1.600722      3.258650
  H      -2.185805     -2.126635      0.294701
  H      -2.567522     -0.591505      1.071435
  H      -4.858481     -1.096242      2.799084
  H      -7.261527     -1.561504      2.449711
  H      -8.033938     -2.689848      0.372486
  H      -6.366574     -3.349445     -1.367388
  H      -3.953929     -2.881873     -1.013062
  H      -6.732937     -5.621339      7.755211
  H      -7.438608     -6.275546      6.267116
  H      -5.664042     -6.239827      6.465244
  H      -5.861995     -3.787277      6.507868
  H      -6.313386     -3.173827      4.455617
  H      -7.563567     -4.806122      2.871131
  H      -8.189281     -5.570494      4.330772
  H      -9.532206     -4.040060      1.962441
  H     -11.342909     -2.348074      1.918112
  H     -11.732294     -0.882321      3.901718
  H     -10.297268     -1.149825      5.923561
  H      -8.494586     -2.870247      5.961733
  H      -2.139673     -7.264791      8.389557
  H      -3.489163     -7.251408      7.216116
  H      -3.797741     -7.005820      8.954416
  H      -3.833743     -4.893540      7.925209
  H      -2.192231     -3.736274      7.021388
  H       0.066992     -4.742572      6.539080
  H      -0.349658     -6.128085      7.559171
  H      -0.270154     -5.963354      9.965461
  H       0.351724     -4.659818     11.984370
  H       0.828562     -2.219295     11.798845
  H       0.684759     -1.101506      9.573921
  H       0.069522     -2.412572      7.559878
  N      -3.751841     -2.804373      5.248860
